SCHEMBL4824549

SCHEMBL4824549

CC(C)(C)OC(=O)NC(CCS(=O)(=O)c1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
MMP13 P45452 3/20 0.42
PTPN1 P18031 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
BCL2 P10415 1/20 0.38
CTSK P43235 4/20 0.38
CTSS P25774 3/20 0.38
GGPS1 O95749 1/20 0.38
SCN9A Q15858 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL4816786 0.86 C3AR1 (0.51) C3AR1ALDH1A1TSHRMMP13PTPN1
SCHEMBL4816799 0.86 C3AR1 (0.51) C3AR1ALDH1A1TSHRMMP13PTPN1
SCHEMBL4824730 0.84 FNTA (0.45) C3AR1ALDH1A1PTPN1FNTAFNTB
SCHEMBL4818662 0.84 PTPN1 (0.47) C3AR1PTPN1FNTAFNTBBCL2
SCHEMBL4818673 0.84 PTPN1 (0.47) C3AR1PTPN1FNTAFNTBBCL2
SCHEMBL4824736 0.84 FNTA (0.45) C3AR1ALDH1A1PTPN1FNTAFNTB
SCHEMBL4824726 0.84 FNTA (0.45) C3AR1ALDH1A1PTPN1FNTAFNTB
SCHEMBL4821211 0.83 PTPN1 (0.42) C3AR1ALDH1A1TSHRMMP13PTPN1
SCHEMBL4818610 0.83 PTPN1 (0.42) C3AR1ALDH1A1TSHRMMP13PTPN1
SCHEMBL3864623 0.82 SCN9A (0.44) C3AR1PTPN1FNTAFNTBCTSK

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 C3AR1 3309/4885ALDH1A1 262/4885TSHR 2077/4885

“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.