SCHEMBL640503

SCHEMBL640503

COc1ccc(S(=O)(=O)n2c(=O)n(CC(=O)N3CCCC3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
NPY5R Q15761 1/20 0.44
KDM4E B2RXH2 1/20 0.43
F10 P00742 3/20 0.43

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
SCHEMBL640577 0.99 OPRK1 (0.49) OPRK1TP53PKMRXFP1PPARG
SCHEMBL642355 0.93 PKM (0.49) OPRK1TP53PKMRXFP1PPARG
SCHEMBL642074 0.87 F10 (0.49) PKMALDH1A1KMT2AGAAF10
SCHEMBL641030 0.86 PKM (0.44) OPRK1TP53PKMPPARGPPARA
SCHEMBL640589 0.86 CBX7 (0.46) OPRK1PKMPPARGPPARAALDH1A1
SCHEMBL641531 0.86 PPARG (0.56) OPRK1RXFP1PPARGPPARAALDH1A1
SCHEMBL642536 0.81 OPRK1 (0.43) OPRK1PKMPPARGPPARAALDH1A1
SCHEMBL641120 0.77 PPARG (0.43) OPRK1PKMRXFP1PPARGPPARA
SCHEMBL641778 0.76 MAPT (0.44) TP53ALDH1A1GAA
SCHEMBL641108 0.76 MEN1 (0.43) PKMRXFP1PPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
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 OPRK1 109/4885TP53 1730/4885PKM 1171/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A OPRK1 109/4885TP53 1730/4885PKM 1171/4885

“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.