SCHEMBL642355

SCHEMBL642355

COc1ccc(S(=O)(=O)n2c(=O)n(CC(=O)N3CCN(C)CC3)c3cc(Cl)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
F10 P00742 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
OPRK1 P41145 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 2/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTR6 P50406 1/20 0.43
NPY5R Q15761 1/20 0.42
PTGS2 P35354 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 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
SCHEMBL640503 0.93 OPRK1 (0.49) PKMF10PPARGPPARAOPRK1
SCHEMBL640589 0.92 CBX7 (0.46) PKMF10PPARGPPARAOPRK1
SCHEMBL641030 0.92 PKM (0.44) PKMF10PPARGPPARAOPRK1
SCHEMBL640577 0.92 OPRK1 (0.49) PKMF10PPARGPPARAOPRK1
SCHEMBL642074 0.87 F10 (0.49) PKMF10KMT2AALDH1A1GAA
SCHEMBL641531 0.84 PPARG (0.56) PPARGPPARAOPRK1KMT2AALDH1A1
SCHEMBL642536 0.81 OPRK1 (0.43) PKMPPARGPPARAOPRK1ALDH1A1
SCHEMBL642204 0.77 PPARG (0.42) PKMF10PPARGPPARAKMT2A
SCHEMBL641778 0.77 MAPT (0.44) ALDH1A1GAATP53THRBMAPT
SCHEMBL641963 0.76 NPSR1 (0.43) F10GAAMAPTRAB9ARXFP1

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 PKM 1171/4885F10 276/4885PPARG 1201/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A PKM 1171/4885F10 276/4885PPARG 1201/4885

“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.