SCHEMBL2898436

SCHEMBL2898436

Cc1ccc(S(=O)(=O)O)cc1.Clc1ccc2c(c1I)-c1ccccc1-2

nearest known ligand 0.43

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
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 3/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
MAPK1 P28482 1/20 0.39
ALOX15 P16050 1/20 0.37
PTPRC P08575 2/20 0.36

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
SCHEMBL2903925 0.89 TSHR (0.48) CYP1A2CYP2C19ALDH1A1LMNAMAPT
SCHEMBL4414364 0.83 MAPT (0.43) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL2901950 0.80 ALDH1A1 (0.49) CYP1A2CYP2C19ALDH1A1LMNAMAPT
Trifluoromethanesulfonic Acid SCHEMBL2895903 0.77 GPR3 (0.35) PTPRC
SCHEMBL2897446 0.77 CYP2A6 (0.35) CYP1A2LMNASMN1; SMN2HPGDTSHR
SCHEMBL2900936 0.77 DAPK1 (0.35)
SCHEMBL28204761 0.72 GAA (0.59) CYP2C19ALDH1A1LMNAMAPTKDM4E
SCHEMBL9871157 0.72 GAA (0.59) CYP2C19ALDH1A1LMNAMAPTKDM4E
Iodobenzene SCHEMBL3170250 0.71 SMN1; SMN2 (0.56) CYP1A2CYP2C19ALDH1A1LMNAMAPT
Iodobenzene SCHEMBL28504977 0.71 SMN1; SMN2 (0.56) CYP1A2CYP2C19ALDH1A1LMNAMAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253470-B1 Radiation-sensitive resin composition JSR CORP (JP) 2010-06-16 EP disclosed
EP-1238972-B1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORP (JP) 2009-12-16 EP disclosed
EP-1270553-B1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORP (JP) 2009-11-18 EP disclosed
US-7258962-B2 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2007-08-21 US disclosed
US-20050244747-A1 Positive-tone radiation-sensitive resin composition JSR CORPORATION (JP) 2005-11-03 US disclosed
US-6908722-B2 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORPORATION (JP) 2005-06-21 US disclosed
US-6846607-B2 Carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2005-01-25 US disclosed
US-6830868-B2 Useful as a chemically amplified resist responding to active radiation, for example ultraviolet rays such as a KrF excimer laser, ArF excimer laser, and F2 excimer laser JSR CORPORATION (JP) 2004-12-14 US disclosed
US-6824954-B2 DIHALOMETHYL SULFONYLOXIME COMPOUNDS; FOR EXAMPLE, 2,2-DIFLUORO-2-METHYLACETOPHENONE-O-METHYLSULFONYLOXIME; HEAT STABILITY AND STORAGE STABILITY; SENSITIVE TO FAR ULTRAVIOLET RADIATION OR ELECTRON BEAMS; RESISTS JSR CORPORATION (JP) 2004-11-30 US disclosed
US-6821705-B2 USED AS CHEMICALLY AMPLIFIED RESIST, EXHIBITS HIGH SENSITIVITY, RESOLUTION, RADIATION TRANSMITTANCE, AND SURFACE SMOOTHNESS, AND IS FREE FROM THE PROBLEM OF PARTIAL INSOLUBLIZATION DURING OVEREXPOSURE JSR CORPORATION (JP) 2004-11-23 US disclosed
US-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition JSR CORPORATION (JP) 2003-10-16 US disclosed
EP-1343048-A2 Anthracene derivative and radiation-sensitive resin composition JSR Corporation (JP) 2003-09-10 EP disclosed
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR CORPORATION (JP) 2003-06-19 US disclosed
US-20030113660-A1 Sulfonyloxime compound, and radiation sensitive acid generator, positive type radiation sensitive resin composition and negative type radiation sensitive resin composition using same JSR CORPORATION (JP) 2003-06-19 US disclosed
EP-1270553-A2 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition JSR Corporation (JP) 2003-01-02 EP disclosed
US-20020192593-A1 Used as chemically amplified resist, exhibits high sensitivity, resolution, radiation transmittance, and surface smoothness, and is free from the problem of partial insolublization during overexposure JSR CORPORATION (JP) 2002-12-19 US disclosed
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR CORPORATION (JP) 2002-11-21 US disclosed
EP-1253470-A2 Radiation-sensitive resin composition JSR Corporation (JP) 2002-10-30 EP disclosed
EP-1238972-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition JSR Corporation (JP) 2002-09-11 EP disclosed
EP-1231205-A1 VINYLPHENYLPROPIONIC ACID DERIVATIVES, PROCESSES FOR PRODUCTION OF THE DERIVATIVES, POLYMERS THEREOF AND RADIOSENSITIVE RESIN COMPOSITIONS JSR Corporation (JP) 2002-08-14 EP 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 (3 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-20030194634-A1 Novel anthracene derivative and radiation-sensitive resin composition SRSF1, ARL1, ERCC4 CYP1A2 2917/4885CYP2C19 3433/4885ALDH1A1 1190/4885
US-20020172885-A1 Novel carbazole derivative and chemically amplified radiation-sensitive resin composition ARID2, RAD1, RAD51 CYP1A2 1836/4885CYP2C19 1935/4885ALDH1A1 1654/4885
US-20030113658-A1 Acid generator, sulfonic acid, sulfonic acid derivatives and radiation-sensitive resin composition ASIC1, PFAS, RARA CYP1A2 1570/4885CYP2C19 1288/4885ALDH1A1 1216/4885

“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.