SCHEMBL4196866

SCHEMBL4196866

COc1ccc(-c2ccc(S(=O)(=O)Nc3ccccc3CN[C@@H](C)CC3CCCC3)s2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
GHSR Q92847 11/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PI4KB Q9UBF8 3/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
PI4KA P42356 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 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
SCHEMBL4195287 0.99 MMP13 (0.40) MMP13GHSRNPC1RAB9API4KB
SCHEMBL4189890 0.99 MMP13 (0.40) MMP13GHSRNPC1RAB9API4KB
SCHEMBL4195566 0.89 MMP13 (0.43) MMP13GHSR
SCHEMBL4195119 0.88 GHSR (0.38) MMP13GHSRNPC1RAB9ALMNA
SCHEMBL4198289 0.88 GHSR (0.38) MMP13GHSRNPC1RAB9ALMNA
SCHEMBL4190359 0.87 TP53 (0.41) GHSRNPC1RAB9AALDH1A1LMNA
SCHEMBL4197564 0.87 KDM4E (0.39) MMP13GHSRMAPTTP53
SCHEMBL4193037 0.86 TP53 (0.41) GHSRNPC1RAB9API4KBALDH1A1
SCHEMBL4195284 0.86 TP53 (0.41) GHSRNPC1RAB9API4KBALDH1A1
SCHEMBL4185866 0.86 GHSR (0.38) GHSRNPC1RAB9API4KBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP claimed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US claimed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US claimed
EP-1879877-B1 ANTIMICROBIAL AGENTS RANBAXY LAB LTD (IN) 2013-01-02 EP disclosed
US-8076370-B2 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2011-12-13 US disclosed
US-20090215764-A1 Antimicrobial agents RANBAXY LABORATORIES LIMITED (IN) 2009-08-27 US disclosed
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP disclosed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 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 (1 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-20090215764-A1 Antimicrobial agents TUFM, RPS17, HARS1 MMP13 4330/4885GHSR 3645/4885NPC1 1859/4885

“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.