SCHEMBL31407717

SCHEMBL31407717

COc1ccncc1C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 3/20 0.52
▸ ITGB7 P26010 3/20 0.52
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ ACE P12821 2/20 0.47
▸ TACR1 P25103 1/20 0.46
▸ SCN9A Q15858 1/20 0.45
▸ PPARA Q07869 6/20 0.43
▸ PPARG P37231 5/20 0.43
▸ CTSS P25774 4/20 0.43
▸ CTSK P43235 4/20 0.43
▸ CACNA1B Q00975 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ CTSL P07711 1/20 0.41

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
SCHEMBL25222740 1.00 ITGA4 (0.52) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL25262301 1.00 ITGA4 (0.52) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL30461939 1.00 ITGA4 (0.52) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL25216220 0.91 ITGA4 (0.52) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL25268681 0.91 ITGA4 (0.52) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL30461882 0.91 TACR1 (0.51) ITGA4ITGB7TACR1SCN9ACTSS
SCHEMBL3376451 0.83 TACR1 (0.60) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL3376442 0.83 TACR1 (0.60) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL31407351 0.83 TACR1 (0.60) ITGA4ITGB7ITGB3ITGA2BACE
SCHEMBL25216680 0.82 ACE (0.47) ITGA4ITGB7ITGB3ITGA2BACE

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 ITGA4 2079/4885ITGB7 3892/4885ITGB3 2864/4885

“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.

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