SCHEMBL3346895

SCHEMBL3346895

COc1cccc(I)c1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ACHE P22303 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3354260 0.83 ALDH1A1 (0.46) SMN1; SMN2KDM4ETSHRL3MBTL1ALDH1A1
SCHEMBL3347434 0.81 ACHE (0.50) TP53NPC1RAB9AACHEPKM
SCHEMBL28541309 0.80 NPC1 (0.55) TP53NPC1SMN1; SMN2KDM4ETSHR
SCHEMBL7539405 0.78 PKM (0.50) PKMPOLBL3MBTL1CA1CA2
SCHEMBL28242912 0.78 CYP1A2 (0.58) SMN1; SMN2KDM4ETSHRPKML3MBTL1
SCHEMBL29462463 0.78 ALDH1A1 (0.46) NPC1SMN1; SMN2KDM4ERAB9AACHE
Iodobenzene SCHEMBL28504977 0.77 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ETSHRACHEPOLB
Iodobenzene SCHEMBL3170250 0.77 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ETSHRACHEPOLB
Trifluoromethanesulfonic Acid SCHEMBL3354312 0.77 CES2 (0.46) NPC1SMN1; SMN2TSHRRAB9ACES2
SCHEMBL29349442 0.77

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3741392-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING DIAGNOSIS AND PHOTODYNAMIC THERAPY, AND PREPARATION METHOD THEREFOR Seoul National University R & DB Foundation (KR) 2020-11-25 EP claimed
CN-111954543-A Positron emission tomography radioactive tracer for translocator overexpression related diseases, translocator targeting ligand for fluorescence imaging diagnosis and photodynamic therapy and preparation method thereof 首尔国立大学校产学协力财团 2020-11-17 CN claimed
US-20200345870-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2020-11-05 US claimed
WO-2019143016-A9 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING DIAGNOSIS AND PHOTODYNAMIC THERAPY, AND PREPARATION METHOD THEREFOR 서울대학교산학협력단 2020-08-20 WO claimed
US-20260061083-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR SEOUL NATIONAL UNIVERSITY R&DB FOUNDATGON (KR) 2026-03-05 US disclosed
US-12491271-B2 Positron emission tomography radiotracer for diseases associated with translocator protein overexpression, translocator protein-targeting ligand for fluorescence imaging-guided surgery and photodynamic therapy, and production methods therefor SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2025-12-09 US disclosed
US-20240156997-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2024-05-16 US disclosed
CN-105916836-B Method for producing 2-fluoro-4-borono-L-phenylalanine and precursor thereof 斯特拉制药公司 2021-02-09 CN disclosed
EP-3741392-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING DIAGNOSIS AND PHOTODYNAMIC THERAPY, AND PREPARATION METHOD THEREFOR Seoul National University R & DB Foundation (KR) 2020-11-25 EP disclosed
CN-111954543-A Positron emission tomography radioactive tracer for translocator overexpression related diseases, translocator targeting ligand for fluorescence imaging diagnosis and photodynamic therapy and preparation method thereof 首尔国立大学校产学协力财团 2020-11-17 CN disclosed
US-20200345870-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR SEOUL NATIONAL UNIVERSITY R&DB FOUNDATION (KR) 2020-11-05 US disclosed
WO-2019143016-A9 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING DIAGNOSIS AND PHOTODYNAMIC THERAPY, AND PREPARATION METHOD THEREFOR 서울대학교산학협력단 2020-08-20 WO disclosed
US-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine STELLA PHARMA CORPORATION (JP) 2018-06-26 US disclosed
US-20160311836-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE STELLA PHARMA CORPORATION (JP) 2016-10-27 US disclosed
US-9409926-B2 Chiral 4-boronophenylalanine (BPA) derivative and method for producing same, and method for producing 18F-labeled BPA using said derivative STELLA PHARMA CORPORATION; OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2016-08-09 US disclosed
US-20150329564-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE OSAKA PREFECTURE UNIVERSITY PUBLIC CORPORATION (JP) 2015-11-19 US disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10005794-B2 Production method for 2-fluoro-4-borono-L-phenylalanine, and precursor of 2-fluoro-4-borono-L-phenylalanine NPR1, NPFFR2, NPFFR1 TP53 3799/4885NPC1 1455/4885SMN1; SMN2 3711/4885
US-20260061083-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR TSPO, FABP7, SLC46A1 TP53 922/4885NPC1 134/4885SMN1; SMN2 1360/4885
US-12491271-B2 Positron emission tomography radiotracer for diseases associated with translocator protein overexpression, translocator protein-targeting ligand for fluorescence imaging-guided surgery and photodynamic therapy, and production methods therefor TSPO, FABP7, SLC46A1 TP53 1543/4885NPC1 42/4885SMN1; SMN2 2420/4885
US-20240156997-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR TSPO, FABP7, SLC46A1 TP53 1543/4885NPC1 42/4885SMN1; SMN2 2420/4885
US-20160311836-A1 PRODUCTION METHOD FOR 2-FLUORO-4-BORONO-L-PHENYLALANINE, AND PRECURSOR OF 2-FLUORO-4-BORONO-L-PHENYLALANINE NPR1, NPFFR2, NPFFR1 TP53 3799/4885NPC1 1455/4885SMN1; SMN2 3711/4885
US-20200345870-A1 POSITRON EMISSION TOMOGRAPHY RADIOTRACER FOR DISEASES ASSOCIATED WITH TRANSLOCATOR PROTEIN OVEREXPRESSION, TRANSLOCATOR PROTEIN-TARGETING LIGAND FOR FLUORESCENCE IMAGING-GUIDED SURGERY AND PHOTODYNAMIC THERAPY, AND PRODUCTION METHODS THEREFOR TSPO, TMEM14C, FABP7 TP53 1263/4885NPC1 118/4885SMN1; SMN2 1600/4885
US-20150329564-A1 CHIRAL 4-BORONOPHENYLALANINE (BPA) DERIVATIVE AND METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING 18F-LABELED BPA USING SAID DERIVATIVE FFAR3, BRS3, FSHR TP53 4167/4885NPC1 2551/4885SMN1; SMN2 4515/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.