SCHEMBL4859050

SCHEMBL4859050

O=C(O)CCSCc1ccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
CYP2C19 P33261 1/20 0.47
GGPS1 O95749 1/20 0.47
PTGER4 P35408 3/20 0.45
PTGER3 P43115 3/20 0.45
PTGER1 P34995 2/20 0.45
PTGER2 P43116 2/20 0.45
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
PRKDC P78527 4/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
C3AR1 Q16581 1/20 0.37
FFAR1 O14842 1/20 0.36
PLA2G2A P14555 1/20 0.36
PLA2G4A P47712 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
SCHEMBL4459051 0.94 CYP2C19 (0.51) ALOX5CYP2C19GGPS1PTGER4PTGER3
SCHEMBL4856992 0.82 GGPS1 (0.54) ALOX5GGPS1MMP12MMP13PRKDC
SCHEMBL13888093 0.81 ALOX5 (0.43) ALOX5CYP2C19GGPS1PTGER4PTGER3
SCHEMBL4730478 0.80 GAA (0.41) ALOX5GGPS1
SCHEMBL3863097 0.80 ACE (0.46) ALOX5GGPS1C3AR1
SCHEMBL3888219 0.78 ALOX5 (0.44) ALOX5GGPS1MMP12MMP13PTGES2
SCHEMBL3888226 0.78 ALOX5 (0.44) ALOX5GGPS1MMP12MMP13PTGES2
SCHEMBL17057210 0.78 ALOX5 (0.66) ALOX5GGPS1PRKDCPTGES2PLA2G2A
SCHEMBL18698089 0.78 ALOX5 (0.65) ALOX5GGPS1PRKDCPTGES2PLA2G2A
SCHEMBL29892450 0.78 ALOX5 (0.65) ALOX5GGPS1PRKDCPTGES2PLA2G2A

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
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US claimed
EP-1836182-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-09-26 EP claimed
US-20060122257-A1 Phenyl substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US claimed
WO-2006055625-A2 HETEROCYCLYLBIPHENYL DERIVATES AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO claimed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
US-20060122257-A1 Phenyl substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 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-20060122257-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO ALOX5 1164/4885CYP2C19 1429/4885GGPS1 2760/4885

“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.