SCHEMBL3888092

SCHEMBL3888092

C[C@](N)(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.44
ALOX5 P09917 3/20 0.42
C3AR1 Q16581 1/20 0.37
PTPN1 P18031 3/20 0.37
CDC14B O60729 2/20 0.36
CDC14A Q9UNH5 2/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARD Q03181 1/20 0.33

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
SCHEMBL3888287 1.00 GGPS1 (0.44) GGPS1ALOX5C3AR1PTPN1CDC14B
SCHEMBL4476792 0.90 ALOX5 (0.44) GGPS1ALOX5C3AR1PTPN1CDC14B
SCHEMBL13888096 0.83 ALOX5 (0.41) GGPS1ALOX5C3AR1PTPN1CDC14B
SCHEMBL4472834 0.82 ACE (0.45) GGPS1ALOX5C3AR1PTPN1MMP12
SCHEMBL3866885 0.81 PPARG (0.40) GGPS1ALOX5C3AR1PTPN1PPARG
SCHEMBL3866504 0.81 PPARG (0.40) GGPS1ALOX5C3AR1PTPN1PPARG
SCHEMBL3888219 0.81 ALOX5 (0.44) GGPS1ALOX5C3AR1MMP12MMP13
SCHEMBL3888226 0.81 ALOX5 (0.44) GGPS1ALOX5C3AR1MMP12MMP13
SCHEMBL4459051 0.80 CYP2C19 (0.51) GGPS1ALOX5C3AR1CDC14BCDC14A
SCHEMBL3888083 0.79 ALOX5 (0.41) GGPS1ALOX5C3AR1MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
US-7498356-B2 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY LLC (US) 2009-03-03 US disclosed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US disclosed
EP-1814869-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS The Institutes for Pharmaceutical Discovery, LLC (US) 2007-08-08 EP disclosed
US-20060122223-A1 Substituted amino carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055725-A2 SUBSTITUTED AMINO ACIDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 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 (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-20060122223-A1 Substituted amino carboxylic acids PTPRS, PTPRO, PTPRJ GGPS1 2741/4885ALOX5 1550/4885C3AR1 3702/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO GGPS1 2583/4885ALOX5 1758/4885C3AR1 3309/4885

“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.