SCHEMBL31407461

SCHEMBL31407461

COc1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)ccn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.55
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
PTPN1 P18031 3/20 0.50
ITGA4 P13612 2/20 0.50
ITGB7 P26010 2/20 0.50
CTSS P25774 7/20 0.46
CTSK P43235 6/20 0.46
CTSB P07858 4/20 0.46
PPARA Q07869 4/20 0.46
PPARG P37231 3/20 0.46
CTSL P07711 2/20 0.46
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44

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
SCHEMBL31407804 1.00 ACE (0.55) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL14860326 1.00 ACE (0.55) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL19304674 1.00 ACE (0.55) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL14861192 0.91 KLK5 (0.51) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL16228244 0.91 KLK5 (0.51) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL31407628 0.86 ACE (0.57) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL31407738 0.82 ITGA4 (0.56) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL6162390 0.82 PTPN1 (0.54) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL6162397 0.82 PTPN1 (0.54) ACEITGB3ITGA2BPTPN1ITGA4
SCHEMBL25355776 0.81 LOX (0.49) PTPN1ITGA4ITGB7PPARGITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PEPTIDREAM INC (JP) 2026-01-15 US disclosed
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP 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-20260015313-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF NSUN3, BCAT1, SLC43A1 ACE 1944/4885ITGB3 2864/4885ITGA2B 3805/4885

“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.