SCHEMBL1038076

SCHEMBL1038076

COc1c(C)cc(S(=O)(=O)Cl)c(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 2/20 0.44
TRPV4 Q9HBA0 1/20 0.41
MAPT P10636 2/20 0.40
CYP19A1 P11511 1/20 0.36
TP53 P04637 2/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL29733677 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2RAB9ALMNAPOLB
SCHEMBL2307620 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2RAB9ALMNAPOLB
SCHEMBL9844869 0.79 HTT (0.41) ALDH1A1SMN1; SMN2RAB9ALMNAPOLB
SCHEMBL2932741 0.78 TRPV4 (0.50) ALDH1A1SMN1; SMN2RAB9ALMNAPKM
SCHEMBL7526380 0.77 TRPV4 (0.34) ALDH1A1TRPV4TSHR
SCHEMBL532886 0.77 TRPV4 (0.41) ALDH1A1SMN1; SMN2LMNAPKMTRPV4
SCHEMBL9844867 0.75 MCL1 (0.41) POLBPKMTSHRHTTKMT2A
SCHEMBL5212407 0.74 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2LMNATRPV4CYP19A1
SCHEMBL5835425 0.73 ACLY (0.38) ALDH1A1SMN1; SMN2PKMTRPV4CYP19A1
SCHEMBL31535823 0.72 TRPV4 (0.56) ALDH1A1SMN1; SMN2PKMTRPV4MAPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
EP-2229395-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-09-22 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 WO disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
EP-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP disclosed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP disclosed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 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 (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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 ALDH1A1 3693/4885SMN1; SMN2 1771/4885RAB9A 2641/4885
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 ALDH1A1 1239/4885SMN1; SMN2 781/4885RAB9A 1398/4885

“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.