SCHEMBL4825384

SCHEMBL4825384

O=C(CNc1ccccc1)NC(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.44
TDP1 Q9NUW8 3/20 0.42
C3AR1 Q16581 1/20 0.42
PPARA Q07869 2/20 0.42
ICMT O60725 1/20 0.40
ALOX5 P09917 1/20 0.39
GGPS1 O95749 1/20 0.39
SLC10A1 Q14973 2/20 0.39
PPARG P37231 1/20 0.38

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
SCHEMBL3871885 1.00 ACE (0.44) ACETDP1C3AR1PPARAICMT
SCHEMBL3863097 0.88 ACE (0.46) ACETDP1C3AR1PPARAICMT
SCHEMBL3869501 0.87 ACE (0.47) ACETDP1C3AR1PPARAICMT
SCHEMBL4823549 0.87 ACE (0.47) ACETDP1C3AR1PPARAICMT
SCHEMBL3869641 0.86 C3AR1 (0.49) ACETDP1C3AR1PPARAICMT
SCHEMBL4826295 0.86 C3AR1 (0.49) ACETDP1C3AR1PPARAICMT
SCHEMBL4818632 0.85 C3AR1 (0.48) ACETDP1C3AR1PPARAICMT
SCHEMBL3863460 0.85 C3AR1 (0.48) ACETDP1C3AR1PPARAICMT
SCHEMBL3862107 0.85 TDP1 (0.54) ACETDP1C3AR1PPARAICMT
SCHEMBL4816469 0.85 TDP1 (0.54) ACETDP1C3AR1PPARAICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266789-A1 Substituted amino carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2004-12-30 US claimed
US-7358248-B2 Substituted amino carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC (US) 2008-04-15 US 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 (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-20040266789-A1 Substituted amino carboxylic acids PTPRS, PPM1B, PTPRO ACE 1006/4885TDP1 744/4885C3AR1 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.