SCHEMBL4197376

SCHEMBL4197376

C[C@@H](CC1CCCCC1)NCc1ccccc1NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)n(C)n2)s1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.57
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
GHSR Q92847 6/20 0.33
CCKBR P32239 1/20 0.33
CCR4 P51679 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4195272 1.00 PTGES2 (0.57) PTGES2GAAL3MBTL1POLBRXFP1
Cycloheptane SCHEMBL4204049 0.90 PTGES2 (0.65) PTGES2GAAL3MBTL1POLBRXFP1
SCHEMBL4192394 0.87 RAB9A (0.46) PTGES2GAAL3MBTL1POLBRXFP1
SCHEMBL4194021 0.87 RAB9A (0.46) PTGES2GAAL3MBTL1POLBRXFP1
SCHEMBL4190975 0.86 RAB9A (0.47) PTGES2GAAL3MBTL1RXFP1ALDH1A1
SCHEMBL4189854 0.84 PFKFB3 (0.41) PTGES2GAARXFP1ALDH1A1MAPT
SCHEMBL4196692 0.84 PFKFB3 (0.41) PTGES2GAARXFP1ALDH1A1MAPT
SCHEMBL4200017 0.84 MAPT (0.52) PTGES2L3MBTL1POLBRXFP1MAPT
SCHEMBL4197588 0.84 MAPT (0.52) PTGES2L3MBTL1POLBRXFP1MAPT
SCHEMBL4193158 0.83 MAPT (0.53) PTGES2L3MBTL1POLBRXFP1MAPT

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-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP claimed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO 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

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 PTGES2 4392/4885GAA 175/4885L3MBTL1 2192/4885

“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.