SCHEMBL3384281

SCHEMBL3384281

NCCNc1cccc2c(S(=O)(=O)[O-])cccc12.[Na+]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
▸ CA12 known ✓ O43570 1/20 0.53
▸ CA4 known ✓ P22748 1/20 0.53
▸ SCN1A known ✓ P35498 2/20 0.37
▸ SCN2A known ✓ Q99250 2/20 0.37
▸ SCN3A known ✓ Q9NY46 2/20 0.37
▸ THRB known ✓ P10828 1/20 0.37
▸ CA3 P07451 1/20 0.53
▸ CA6 P23280 1/20 0.53
▸ CA5A P35218 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ CA5B Q9Y2D0 1/20 0.53
▸ HSD17B10 Q99714 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ RECQL P46063 1/20 0.51
▸ IDO1 P14902 3/20 0.46
▸ HTR6 P50406 2/20 0.45
▸ CYP3A4 P08684 7/20 0.44

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
SCHEMBL30060750 1.00 CA12 (0.53) CA12CA3CA4CA6CA5A
SCHEMBL30774612 1.00 CA12 (0.53) CA12CA3CA4CA6CA5A
Water SCHEMBL25181635 0.98 CA12 (0.51) CA12CA3CA4CA6CA5A
SCHEMBL6254 0.83 CA12 (0.54) CA12CA3CA4CA6CA5A
SCHEMBL29349851 0.83 CA12 (0.54) CA12CA3CA4CA6CA5A
Hydrochloric Acid SCHEMBL14833086 0.82 TSHR (0.55) CA12CA3CA4CA6CA5A
SCHEMBL3384286 0.82 CA12 (0.53) CA12CA3CA4CA6CA5A
SCHEMBL3384278 0.82 CA12 (0.53) CA12CA3CA4CA6CA5A
SCHEMBL29018091 0.81 CA12 (0.47) CA12CA3CA4CA6CA5A
SCHEMBL30461559 0.81 CA12 (0.47) CA12CA3CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230358677-A1 Reversible Excited-State Photoacids and Photobases as Dynamic Fluorescence Sensors of Protonic Species CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-11-09 — — US claimed
CN-115261995-B Crystal face micro-structuring auxiliary agent and preparation method thereof 陕西科技大学 2023-07-21 — — CN claimed
CN-113049557-A Multiple fluorescent staining solution for genital secretion and preparation method and application thereof 广州江元医疗科技有限公司 2021-06-29 — — CN claimed
US-20160152656-A1 Methods of Using Phosphoramidation Reaction for Conjugation-Labeling Nucleic Acids KAOHSIUNG MEDICAL UNIVERSITY (TW) 2016-06-02 — — US claimed
US-7550447-B2 Method for precipitating nucleic acid with visible carrier MERCK PATENT GMBH (DE) 2009-06-23 — — US claimed
US-20070178601-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER EMD BIOSCIENCES, INC. 2007-08-02 — — US claimed
US-7144713-B1 Method for precipitating nucleic acid with visible carrier EMD BIOSCIENCES, INC. (US) 2006-12-05 — — US claimed
EP-0853680-B1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER EMD BIOSCIENCES INC (US) 2004-03-31 — — EP claimed
EP-0853680-A4 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN INC (US) 2000-09-13 — — EP claimed
EP-0853680-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN, INC. (US) 1998-07-22 — — EP claimed
WO-1997012994-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN, INC. (US) 1997-04-10 — — WO claimed
US-20240383943-A1 Esterified Protein and Production Method Thereof SPIBER INC. (JP) 2024-11-21 — — US disclosed
EP-4410822-A1 ESTERIFIED PROTEIN AND PRODUCTION METHOD THEREOF Spiber Inc. (JP) 2024-08-07 — — EP disclosed
CN-118139872-A Esterified protein and method for producing the same 丝芭博株式会社 2024-06-04 — — CN disclosed
US-20230358677-A1 Reversible Excited-State Photoacids and Photobases as Dynamic Fluorescence Sensors of Protonic Species CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-11-09 — — US disclosed
CN-107805837-B A kind of aluminium and aluminium alloy environmental protection normal-temperature hole sealing agent and its hole-sealing technology 江苏飞拓界面工程科技有限公司 2019-02-19 — — CN disclosed
WO-2018041985-A1 CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES FORSCHUNGSVERBUND BERLIN E.V. (DE) 2018-03-08 — — WO disclosed
US-20160152656-A1 Methods of Using Phosphoramidation Reaction for Conjugation-Labeling Nucleic Acids KAOHSIUNG MEDICAL UNIVERSITY (TW) 2016-06-02 — — US disclosed
US-8372435-B2 Modular monolayer coatings for selective attachment of nanoparticles to biomolecules PRINCETON UNIVERSITY (US) 2013-02-12 — — US disclosed
US-20100034742-A1 MODULAR MONOLAYER COATINGS FOR SELECTIVE ATTACHMENT OF NANOPARTICLES TO BIOMOLECULES PRINCETON UNIVERSITY (US) 2010-02-11 — — US 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 (2 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-20240383943-A1 Esterified Protein and Production Method Thereof BCAT1, BCAT2, CETP CA12 2797/4885CA4 2194/4885SCN1A 1563/4885
US-20100034742-A1 MODULAR MONOLAYER COATINGS FOR SELECTIVE ATTACHMENT OF NANOPARTICLES TO BIOMOLECULES PHOSPHO1, EPCAM, EPHA2 CA12 347/4885CA4 2002/4885SCN1A 4580/4885

“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.

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