SCHEMBL4818673

SCHEMBL4818673

CC(C)(C)OC(=O)N[C@@H](CCOc1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
BCHE P06276 1/20 0.44
CNR2 P34972 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
SCN9A Q15858 1/20 0.42
C3AR1 Q16581 1/20 0.42
SUCNR1 Q9BXA5 10/20 0.41
BCL2 P10415 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39

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
SCHEMBL4818662 1.00 PTPN1 (0.47) PTPN1BCHECNR2ITGB3ITGA2B
SCHEMBL3865769 0.96 SCN9A (0.44) PTPN1BCHECNR2ITGB3ITGA2B
SCHEMBL3864623 0.94 SCN9A (0.44) PTPN1BCHECNR2ITGB3ITGA2B
SCHEMBL3862129 0.90 PRMT5 (0.42) PTPN1BCHECNR2ITGB3ITGA2B
SCHEMBL3867006 0.88 BCHE (0.44) PTPN1BCHECNR2SCN9ASUCNR1
SCHEMBL4824736 0.88 FNTA (0.45) PTPN1SCN9AC3AR1FNTAFNTB
SCHEMBL4824726 0.88 FNTA (0.45) PTPN1SCN9AC3AR1FNTAFNTB
SCHEMBL4824730 0.88 FNTA (0.45) PTPN1SCN9AC3AR1FNTAFNTB
SCHEMBL4816799 0.86 C3AR1 (0.51) PTPN1C3AR1FNTAFNTBCTSS
SCHEMBL4816786 0.86 C3AR1 (0.51) PTPN1C3AR1FNTAFNTBCTSS

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 16/4885BCHE 575/4885CNR2 4266/4885

“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.