SCHEMBL5374891

SCHEMBL5374891

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.61
ITGB3 P05106 2/20 0.61
ITGA2B P08514 2/20 0.61
PPARA Q07869 9/20 0.57
PPARG P37231 8/20 0.57
PPARD Q03181 2/20 0.57
CTSS P25774 6/20 0.55
CTSK P43235 5/20 0.55
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
ITGB1 P05556 1/20 0.53
ITGAV P06756 1/20 0.53
ITGB5 P18084 1/20 0.53
ITGA4 P13612 1/20 0.53
ITGB7 P26010 1/20 0.53
APP P05067 1/20 0.52

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
SCHEMBL7390262 1.00 ACE (0.61) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL2335345 0.93 ACE (0.60) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL9956011 0.93 ACE (0.60) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL2335337 0.93 ACE (0.60) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL7388523 0.90 ACE (0.62) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL7388520 0.90 ACE (0.62) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL3728971 0.90 CTSS (0.58) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL3728970 0.90 CTSS (0.58) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL12717412 0.89 ACE (0.61) ACEITGB3ITGA2BPPARAPPARG
SCHEMBL9076659 0.89 ITGB3 (0.51) ACEITGB3ITGA2BPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed
US-7205435-B2 Type B botulism toxin inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-04-17 US disclosed
US-20040176333-A1 Type b botulism toxin inhibitors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2004-09-09 US disclosed
US-20020091142-A1 Alpha4beta1 and alpha4beta7 integrin inhibitors COOKE NIGEL GRAHAM (US) 2002-07-11 US disclosed
WO-2001068586-A2 α4β1 AND α4β7 INTEGRIN INHIBITORS NOVARTIS AG (CH) 2001-09-20 WO 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 (2 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-20020091142-A1 Alpha4beta1 and alpha4beta7 integrin inhibitors ITGB1, ITGB4, ITGB7 ACE 3313/4885ITGB3 11/4885ITGA2B 7/4885
US-20040176333-A1 Type b botulism toxin inhibitors GZMB, CFB, MAOB ACE 868/4885ITGB3 2381/4885ITGA2B 572/4885

“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.