SCHEMBL4825625

SCHEMBL4825625

CC(C)(C)OC(=O)NC(C[S+]([O-])Cc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
CTSS P25774 4/20 0.41
CTSK P43235 3/20 0.41
PPARA Q07869 6/20 0.40
PPARG P37231 5/20 0.40
C3AR1 Q16581 1/20 0.40
PPARD Q03181 2/20 0.39
ACE P12821 1/20 0.38
EPHX2 P34913 1/20 0.38
CTSB P07858 1/20 0.38
SCN9A Q15858 1/20 0.37
GGPS1 O95749 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
BCL2 P10415 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL4825628 1.00 PTPN1 (0.42) PTPN1CTSSCTSKPPARAPPARG
SCHEMBL3869192 0.86 ALOX5 (0.38) PTPN1C3AR1GGPS1FNTAFNTB
SCHEMBL4824028 0.84 PPARA (0.61) PTPN1CTSSCTSKPPARAPPARG
SCHEMBL4824035 0.84 PPARA (0.61) PTPN1CTSSCTSKPPARAPPARG
SCHEMBL4817129 0.84 PPARA (0.61) PTPN1CTSSCTSKPPARAPPARG
SCHEMBL3863447 0.84 PPARA (0.61) PTPN1CTSSCTSKPPARAPPARG
SCHEMBL4816799 0.84 C3AR1 (0.51) PTPN1CTSSCTSKPPARAPPARG
SCHEMBL4816786 0.84 C3AR1 (0.51) PTPN1CTSSCTSKPPARAPPARG
SCHEMBL4818547 0.83 PTPN1 (0.51) PTPN1PPARAPPARG
SCHEMBL4818610 0.82 PTPN1 (0.42) PTPN1CTSSCTSKPPARAPPARG

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 PTPN1 16/4885CTSS 3788/4885CTSK 3965/4885

“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.