SCHEMBL640318

SCHEMBL640318

COc1ccc(S(=O)(=O)n2c(=O)n(-c3ccccc3CC(=O)O)c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.52
MMP12 P39900 5/20 0.52
MMP8 P22894 4/20 0.52
MMP13 P45452 4/20 0.52
MMP14 P50281 4/20 0.52
MMP16 P51512 4/20 0.52
MMP9 P14780 4/20 0.49
MMP1 P03956 2/20 0.49
MMP3 P08254 2/20 0.49
PTGDR2 Q9Y5Y4 2/20 0.45
PTGDR Q13258 1/20 0.45
KEAP1 Q14145 1/20 0.42
CXCL8 P10145 1/20 0.42
NOD1 Q9Y239 1/20 0.42
HTR6 P50406 2/20 0.41
PLA2G2A P14555 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL639915 0.89 PPARG (0.49) MMP2MMP12MMP8MMP13MMP14
SCHEMBL639665 0.87 MMP2 (0.44) MMP2MMP12MMP8MMP13MMP14
SCHEMBL15891016 0.83 MMP2 (0.48) MMP2MMP12MMP8MMP13MMP14
SCHEMBL640147 0.73 PPARG (0.45) MMP2MMP12MMP8MMP13MMP14
SCHEMBL640431 0.72 MMP2 (0.40) MMP2MMP12MMP8MMP13MMP14
SCHEMBL10143431 0.71 NOD1 (0.53) MMP2CXCL8NOD1HTR6PPARG
SCHEMBL640317 0.70 CXCL8 (0.45) MMP2MMP13MMP9MMP1MMP3
SCHEMBL15891015 0.68 CXCL8 (0.42) MMP2MMP12MMP8MMP13MMP14
SCHEMBL31539005 0.67 HTT (0.62) ALDH1A1LMNA
SCHEMBL641531 0.67 PPARG (0.56) PTGDR2PTGDRPPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MMP2 1134/4885MMP12 2654/4885MMP8 1803/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A MMP2 1134/4885MMP12 2654/4885MMP8 1803/4885

“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.