SCHEMBL4856992

SCHEMBL4856992

O=C(O)CSCc1cccc(-c2cccc(-c3cccc4c3oc3ccccc34)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.54
ALOX5 P09917 2/20 0.48
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGES2 Q9H7Z7 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MMP12 P39900 2/20 0.38
MMP13 P45452 2/20 0.38
GAA P10253 1/20 0.38
PRKDC P78527 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
C3AR1 Q16581 1/20 0.37

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
SCHEMBL4859050 0.82 ALOX5 (0.48) GGPS1ALOX5PTGES2MMP12MMP13
SCHEMBL13986660 0.82 GGPS1 (0.52) GGPS1ALOX5ALDH1A1PTGES2MEN1
SCHEMBL3866899 0.80 PPARA (0.56) GGPS1TDP1C3AR1
SCHEMBL13986662 0.80 GGPS1 (0.61) GGPS1ALOX5PTGES2PRKDCPRMT5
SCHEMBL29892450 0.78 ALOX5 (0.65) GGPS1ALOX5HPGDPTGES2MEN1
SCHEMBL18698089 0.78 ALOX5 (0.65) GGPS1ALOX5HPGDPTGES2MEN1
SCHEMBL15855421 0.78 ALOX5 (0.69) GGPS1ALOX5ALDH1A1HPGDPTGES2
SCHEMBL12996525 0.78 ALOX5 (0.69) GGPS1ALOX5ALDH1A1HPGDPTGES2
SCHEMBL13986663 0.77 GGPS1 (0.58) GGPS1ALOX5PTGES2PRKDCPRMT5
SCHEMBL13986664 0.77 GGPS1 (0.48) GGPS1ALOX5CYP1A2ALDH1A1HPGD

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 GGPS1 2760/4885ALOX5 1164/4885CYP1A2 1952/4885

“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.