SCHEMBL3974617

SCHEMBL3974617

C[S+]([O-])c1ccc(C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 9/20 0.47
CA2 P00918 3/20 0.47
PARP4 Q9UKK3 2/20 0.47
PARP1 P09874 2/20 0.47
CA1 P00915 2/20 0.47
PARP2 Q9UGN5 1/20 0.47
TSHR P16473 2/20 0.45
PARP15 Q460N3 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 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
SCHEMBL17907433 0.82 ALDH1A1 (0.48) ALDH1A1MAPTLMNA
SCHEMBL3644304 0.80 TSHR (0.55) CA2CA1TSHRALDH1A1CYP2C19
SCHEMBL31256698 0.80 MAPK1 (0.47) ALDH1A1KMT2AL3MBTL1MAPTTDP1
SCHEMBL8068752 0.78 ALDH1A1 (0.45) CA2CA1TSHRALDH1A1LMNA
SCHEMBL8055087 0.78 PARP10 (0.47) PARP10CA2PARP4PARP1CA1
SCHEMBL26358539 0.78 ALDH1A1 (0.43) PARP10CA2PARP4PARP1CA1
SCHEMBL8190024 0.77 CPT1B (0.50)
SCHEMBL2850820 0.76 PARP1 (0.53) PARP10PARP1PARP2TSHRPARP15
Benzamide SCHEMBL28209577 0.76 PARP1 (0.73) PARP10CA2PARP4PARP1CA1
Methylphenylsulfoxide SCHEMBL28161143 0.76 MAPT (0.43) CA2PARP1TSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US claimed
JP-2008543917-A 2008-12-04 JP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1896412-A2 OXINDOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2008-03-12 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006136606-A2 OXINDOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-28 WO claimed
US-20060293319-A1 Oxindole derivatives LUK KIM-CHUN 2006-12-28 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-0751123-B1 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS (JP) 2000-05-10 EP claimed
CN-1215721-A Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1999-05-05 CN claimed
US-5744609-A REACTING AN ALKYLTHIOBENZAMIDE WITH A HALOGEN IN A HETEROGENOUS SOLVENT TO GIVE ALKYLSULFURYLBENZAMIDES INTERMEDIATES; USEFUL ANTIBACTERIAL AND ANTIFUNGAL AGENT SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1998-04-28 US claimed
EP-0751123-A2 Method for producing alkylsulfinylbenzamides SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1997-01-02 EP claimed
CN-1107837-A Process for producing alkylsulfinylbenzamides and 1, 2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1995-09-06 CN claimed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 EP claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-7576082-B2 Oxindole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-5508416-A HALOGENATING A 2-(ALKYLTHIO)BENZAMIDE, CYCLIZATION TO HETERO RING AND N-S LINKAGE SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-04-16 US disclosed
CN-1107837-A Process for producing alkylsulfinylbenzamides and 1, 2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS (JP) 1995-09-06 CN disclosed
EP-0657438-A2 Method for producing alkylsulfinylbenzamides and 1,2-benzisothiazol-3-ones SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1995-06-14 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 (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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 PARP10 2151/4885CA2 1737/4885PARP4 2837/4885
US-20060293319-A1 Oxindole derivatives CCNI, OGFR, MKI67 PARP10 2060/4885CA2 1616/4885PARP4 2942/4885

“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.