SCHEMBL640317

SCHEMBL640317

COc1ccc(S(=O)(=O)n2c(=O)n(C(C(=O)O)c3ccccc3)c3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.45
NOD1 Q9Y239 1/20 0.45
TSHR P16473 1/20 0.44
MMP2 P08253 4/20 0.43
MMP3 P08254 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CHRM5 P08912 1/20 0.42
MMP13 P45452 1/20 0.41
HTR6 P50406 2/20 0.41
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
PKM P14618 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL639914 0.89 PPARG (0.47) MMP2MMP3PDE4APDE4BPDE4C
SCHEMBL639664 0.86 HCRTR1 (0.39) CXCL8NOD1TSHRMMP2MMP3
SCHEMBL642334 0.80 MAPK1 (0.46) TSHRALDH1A1PKMSMN1; SMN2LMNA
SCHEMBL641222 0.79 PPARG (0.44) ALDH1A1CHRM5HTR6LMNAMAPT
SCHEMBL642490 0.79 ALDH1A1 (0.45) ALDH1A1CHRM5PKMTDP1
SCHEMBL641506 0.78 PPARG (0.45) NOD1MMP2MMP3PDE4APDE4B
SCHEMBL640078 0.78 RXFP1 (0.46) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL639656 0.77 PPARG (0.43) TSHRALDH1A1CHRM5MMP13PKM
SCHEMBL641120 0.77 PPARG (0.43) TSHRALDH1A1CHRM5MMP13PKM
SCHEMBL641108 0.77 MEN1 (0.43) TSHRALDH1A1MMP13PKMMMP1

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 CXCL8 2940/4885NOD1 3597/4885TSHR 498/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CXCL8 2940/4885NOD1 3597/4885TSHR 498/4885

“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.