SCHEMBL4429440

SCHEMBL4429440

Cc1ccc(C)c(Cl)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 3/20 0.43
RAPGEF4 Q8WZA2 1/20 0.41
KMT2A Q03164 3/20 0.41
FKBP1A P62942 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
PTGS2 P35354 2/20 0.40
THRB P10828 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AGTR1 P30556 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CA2 P00918 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL10783358 0.91 CYP3A4 (0.43) CYP3A4ALDH1A1RAPGEF4KMT2AFKBP1A
SCHEMBL89325 0.88
Water SCHEMBL28511306 0.85 CYP3A4 (0.54) CYP3A4ALDH1A1RAPGEF4LMNAAGTR1
SCHEMBL1313272 0.85 CYP3A4 (0.54) CYP3A4ALDH1A1RAPGEF4LMNAAGTR1
SCHEMBL3222464 0.84 ALKBH3 (0.49) CYP3A4ALDH1A1RAPGEF4KMT2AMEN1
SCHEMBL788090 0.82 FLT1 (0.51) CYP3A4ALDH1A1KMT2AFKBP1ASMN1; SMN2
SCHEMBL29059443 0.80 ALDH1A1 (0.46) CYP3A4ALDH1A1SMN1; SMN2L3MBTL1AGTR1
Acetic Acid SCHEMBL29059324 0.80 ALDH1A1 (0.46) CYP3A4ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1169703 0.78 SMN1; SMN2 (0.49) CYP3A4KMT2AFKBP1ASMN1; SMN2PTGS2
SCHEMBL27622138 0.78 CYP3A4 (0.79) CYP3A4ALDH1A1KMT2AMEN1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103596925-A Benzocycloheptene acetic acids HOFFMANN LA ROCHE 2014-02-19 CN disclosed
CN-102056919-A Substituted sulfonamide derivatives GRUENENTHAL GMBH 2011-05-11 CN disclosed
CN-1972918-B Pyrimidine derivatives HOFFMANN LA ROCHE 2010-10-13 CN disclosed
CN-101035762-B Alkil-pyridines as 11-beta inhibitors for diabetes HOFFMANN LA ROCHE 2010-09-29 CN disclosed
CN-100589803-C Aryl-pyridine derivatives HOFFMANN LA ROCHE 2010-02-17 CN disclosed
US-7635775-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
CN-101511783-A N-biaryl (hetero) arylsulphonamide derivatives useful in the treatment of diseases mediated by lymphocytes interactions NOVARTIS AG (CH) 2009-08-19 CN disclosed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
CN-100361992-C Sulfonamide substituted xanthine derivatives for use as PEPCK inhibitors HOFFMANN LA ROCHE (CH) 2008-01-16 CN disclosed
CN-101035762-A Alkil-pyridines as 11-beta inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2007-09-12 CN disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
EP-1501807-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-02-02 EP disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed
WO-2003093245-A1 SULFONYLQUINOXALONE ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2003-11-13 WO disclosed
CN-1331674-A Sulfonamide hydroxamates HOFFMANN LA ROCHE (CH) 2002-01-16 CN disclosed
CN-1165144-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1165143-A Phosphosulfonate herbicides ROHM & HAAS (US) 1997-11-19 CN disclosed
CN-1066266-A PHOSPHOSULFONATE HERBICIDES ROHM & HAAS (US) 1992-11-18 CN 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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 CYP3A4 2687/4885ALDH1A1 2364/4885RAPGEF4 1222/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK CYP3A4 2150/4885ALDH1A1 2366/4885RAPGEF4 1842/4885

“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.