SCHEMBL639915

SCHEMBL639915

COc1ccc(S(=O)(=O)n2c(=O)n(-c3ccccc3CC(=O)O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.49
PPARA Q07869 5/20 0.49
MMP2 P08253 3/20 0.46
MMP8 P22894 3/20 0.46
MMP12 P39900 3/20 0.46
MMP13 P45452 3/20 0.46
MMP14 P50281 3/20 0.46
MMP16 P51512 3/20 0.46
PTGDR2 Q9Y5Y4 4/20 0.44
PTGDR Q13258 2/20 0.44
MMP9 P14780 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41

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
SCHEMBL640318 0.89 MMP2 (0.52) PPARGPPARAMMP2MMP8MMP12
SCHEMBL639665 0.86 MMP2 (0.44) PPARGPPARAMMP2MMP8MMP12
SCHEMBL640147 0.84 PPARG (0.45) PPARGPPARAMMP2MMP8MMP12
SCHEMBL641531 0.78 PPARG (0.56) PPARGPPARAPTGDR2PTGDRMEN1
SCHEMBL639914 0.74 PPARG (0.47) PPARGPPARAMMP2PTGDR2PTGDR
SCHEMBL15891016 0.74 MMP2 (0.48) PPARGPPARAMMP2MMP8MMP12
SCHEMBL10143431 0.74 NOD1 (0.53) PPARGPPARAMMP2MEN1KMT2A
SCHEMBL641222 0.73 PPARG (0.44) PPARGPPARAMEN1KMT2APSEN1
SCHEMBL640146 0.72 PPARG (0.45) PPARGPPARAPTGDR2PTGDRMEN1
SCHEMBL641506 0.72 PPARG (0.45) PPARGPPARAMMP2PTGDR2PTGDR

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 5 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
EP-2061769-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2009-05-27 EP disclosed
WO-2008025736-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2008-03-06 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-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A PPARG 1201/4885PPARA 1651/4885MMP2 1134/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A PPARG 1201/4885PPARA 1651/4885MMP2 1134/4885

“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.