SCHEMBL641756

SCHEMBL641756

COc1ccc(S(=O)(=O)n2c(=O)n([C@H](C(=O)N3CCC(NC4CCN(C(=O)OC(C)(C)C)CC4)C3)c3ccccc3)c3cc(C#N)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 2/20 0.40
MMP1 P03956 5/20 0.39
MMP9 P14780 5/20 0.39
MMP3 P08254 4/20 0.39
MMP7 P09237 4/20 0.39
MMP13 P45452 4/20 0.39
MMP8 P22894 3/20 0.39
MMP2 P08253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TGFBR1 P36897 1/20 0.38
P2RX7 Q99572 1/20 0.37
MGLL Q99685 2/20 0.37
GPR119 Q8TDV5 4/20 0.37
CCR6 P51684 2/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
NR1H2 P55055 1/20 0.36

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
SCHEMBL641755 1.00 STS (0.40) STSMMP1MMP9MMP3MMP7
SCHEMBL641757 1.00 STS (0.40) STSMMP1MMP9MMP3MMP7
SCHEMBL639967 0.97 STS (0.41) STSMMP1MMP9MMP3MMP7
SCHEMBL640254 0.92 CCR6 (0.38) MMP1MMP9MMP13ALDH1A1MGLL
SCHEMBL640255 0.92 CCR6 (0.38) MMP1MMP9MMP13ALDH1A1MGLL
SCHEMBL640145 0.92 CCR6 (0.39) MMP1MMP9MMP13ALDH1A1MGLL
SCHEMBL639757 0.91 KDM4D (0.40) MGLLCCR6HCRTR1HCRTR2
SCHEMBL639755 0.91 KDM4D (0.40) MGLLCCR6HCRTR1HCRTR2
SCHEMBL639756 0.91 KDM4D (0.40) MGLLCCR6HCRTR1HCRTR2
SCHEMBL639625 0.91 CCR6 (0.38) MMP1MMP9MMP13ALDH1A1MGLL

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 STS 3083/4885MMP1 1827/4885MMP9 3772/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A STS 3083/4885MMP1 1827/4885MMP9 3772/4885

“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.