SCHEMBL3863097

SCHEMBL3863097

O=C(O)CCC(=O)NC(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.46
ICMT O60725 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
PPARA Q07869 1/20 0.43
C3AR1 Q16581 1/20 0.43
MME P08473 5/20 0.42
FOLH1 Q04609 1/20 0.42
ALOX5 P09917 1/20 0.40
GGPS1 O95749 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC10A1 Q14973 1/20 0.40

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
SCHEMBL3869461 0.91 MME (0.41) ACEPPARAC3AR1MMEALOX5
SCHEMBL3869463 0.91 MME (0.41) ACEPPARAC3AR1MMEALOX5
SCHEMBL3869501 0.88 ACE (0.47) ACEICMTTDP1PPARAC3AR1
SCHEMBL4823549 0.88 ACE (0.47) ACEICMTTDP1PPARAC3AR1
SCHEMBL4826295 0.88 C3AR1 (0.49) ACEICMTTDP1PPARAC3AR1
SCHEMBL3869641 0.88 C3AR1 (0.49) ACEICMTTDP1PPARAC3AR1
SCHEMBL4825384 0.88 ACE (0.44) ACEICMTTDP1PPARAC3AR1
SCHEMBL3871885 0.88 ACE (0.44) ACEICMTTDP1PPARAC3AR1
SCHEMBL3863460 0.87 C3AR1 (0.48) ACEICMTTDP1PPARAC3AR1
SCHEMBL4818632 0.87 C3AR1 (0.48) ACEICMTTDP1PPARAC3AR1

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-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US claimed
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 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 ACE 978/4885ICMT 4335/4885TDP1 1238/4885
US-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO ACE 1006/4885ICMT 4431/4885TDP1 744/4885

“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.