SCHEMBL4816469

SCHEMBL4816469

O=C(Cc1ccc(F)cc1)NC(CSCc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
FOLH1 Q04609 1/20 0.45
ACE P12821 2/20 0.43
C3AR1 Q16581 1/20 0.41
PPARA Q07869 1/20 0.41
SRC P12931 1/20 0.40
ICMT O60725 1/20 0.40
SLC10A1 Q14973 2/20 0.39
PSMB5 P28074 2/20 0.39
GPR34 Q9UPC5 1/20 0.39
ALOX5 P09917 1/20 0.39
GGPS1 O95749 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL3862107 1.00 TDP1 (0.54) TDP1FOLH1ACEC3AR1PPARA
SCHEMBL3862214 0.90 TDP1 (0.46) TDP1FOLH1ACEC3AR1PPARA
SCHEMBL4819714 0.90 TDP1 (0.46) TDP1FOLH1ACEC3AR1PPARA
SCHEMBL4824666 0.88 TDP1 (0.46) TDP1ACEC3AR1PPARASLC10A1
SCHEMBL4824661 0.88 TDP1 (0.46) TDP1ACEC3AR1PPARASLC10A1
SCHEMBL4819544 0.87 C3AR1 (0.44) TDP1FOLH1ACEC3AR1PPARA
SCHEMBL3862177 0.87 C3AR1 (0.44) TDP1FOLH1ACEC3AR1PPARA
SCHEMBL3863097 0.87 ACE (0.46) TDP1FOLH1ACEC3AR1PPARA
SCHEMBL4816664 0.87 ICMT (0.45) TDP1FOLH1ACEC3AR1PPARA
SCHEMBL3866478 0.87 ICMT (0.45) TDP1FOLH1ACEC3AR1PPARA

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 4 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-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 TDP1 744/4885FOLH1 679/4885ACE 1006/4885

“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.