SCHEMBL1036724

SCHEMBL1036724

O=S(=O)(Cl)c1c(Cl)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.52
PAX8 Q06710 1/20 0.47
CYP1A2 P05177 3/20 0.45
HPRT1 P00492 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
APEX1 P27695 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL499404 0.84 CYP2A6 (0.52) CYP2A6PAX8CYP1A2HPRT1ALDH1A1
SCHEMBL2569228 0.82 CYP2A6 (0.50) CYP2A6PAX8CYP1A2HPRT1ALDH1A1
SCHEMBL8416358 0.82 CYP2A6 (0.50) CYP2A6PAX8CYP1A2HPRT1ALDH1A1
Lithium Ion SCHEMBL3702126 0.81 CYP2A6 (0.48) CYP2A6PAX8CYP1A2HPRT1ALDH1A1
SCHEMBL3696175 0.81 CYP2A6 (0.48) CYP2A6PAX8CYP1A2HPRT1ALDH1A1
SCHEMBL3702128 0.81 CYP2A6 (0.48) CYP2A6PAX8CYP1A2HPRT1ALDH1A1
Silver SCHEMBL11723519 0.81 CYP2A6 (0.48) CYP2A6PAX8CYP1A2HPRT1ALDH1A1
SCHEMBL3713255 0.81 CYP2A6 (0.48) CYP2A6PAX8CYP1A2HPRT1ALDH1A1
SCHEMBL3696173 0.81 CYP2A6 (0.48) CYP2A6PAX8CYP1A2HPRT1ALDH1A1
Hydrochloric Acid SCHEMBL28079045 0.81 CYP2A6 (0.48) CYP2A6PAX8CYP1A2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors LU TIANBAO (US) 2002-01-17 US disclosed
US-6245763-B1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-06-12 US disclosed
EP-1036063-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-09-20 EP disclosed
US-6037356-A ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-14 US disclosed
WO-1999026926-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
EP-0602028-A1 AROMATIC SULFONAMIDE DERIVATIVES, THEIR USE AS ENZYME INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. PHARNO WEDROPHARM GMBH (DE) 1994-06-22 EP disclosed
EP-0462179-A4 NOVEL SULFONAMIDES AS RADIOSENSITIZERS 1992-03-18 EP disclosed
EP-0462179-A1 NOVEL SULFONAMIDES AS RADIOSENSITIZERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-27 EP disclosed
WO-1990009787-A1 NOVEL SULFONAMIDES AS RADIOSENSITIZERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-09-07 WO disclosed
EP-0328206-A2 Method and materials to disperse solid particles in organic compounds Canestri, Giuseppe (IT) 1989-08-16 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP2A6 252/4885PAX8 2313/4885CYP1A2 705/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CYP2A6 252/4885PAX8 2313/4885CYP1A2 705/4885
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, PLAT CYP2A6 425/4885PAX8 3533/4885CYP1A2 1027/4885

“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.