SCHEMBL15081044

SCHEMBL15081044

CC(=O)C(=O)Nc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
ITGB1 P05556 1/20 0.57
ITGAV P06756 1/20 0.57
ITGB5 P18084 1/20 0.57
ACE P12821 1/20 0.57
HDAC8 Q9BY41 1/20 0.52
CTSS P25774 6/20 0.51
CTSK P43235 5/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
ITGA4 P13612 1/20 0.49
ITGB7 P26010 1/20 0.49
PPARA Q07869 5/20 0.49
PPARG P37231 4/20 0.49
PTPN1 P18031 4/20 0.48
PPARD Q03181 2/20 0.47

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
SCHEMBL12028739 1.00 ITGB3 (0.57) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL24513846 0.90 ITGB3 (0.59) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL29145387 0.90 ITGB3 (0.59) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL10890972 0.90 ITGB3 (0.61) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL15081043 0.89 KLK5 (0.52) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL12029082 0.89 KLK5 (0.52) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL457677 0.85 ITGB3 (0.57) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL15294493 0.85 ITGB3 (0.57) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL21639194 0.84 ITGB3 (0.59) ITGB3ITGA2BITGB1ITGAVITGB5
SCHEMBL21639193 0.84 ITGB3 (0.59) ITGB3ITGA2BITGB1ITGAVITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637441-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2017-05-02 US disclosed
EP-1828224-B1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX INC (US) 2016-04-06 EP disclosed
US-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES AMBRX, INC. (US) 2015-04-02 US disclosed
US-8859802-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-10-14 US disclosed
US-8846876-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides Abrx, Inc. (US) 2014-09-30 US disclosed
US-8791231-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-07-29 US disclosed
US-8476411-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-07-02 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-20150094457-A1 COMPOSITIONS CONTAINING, METHODS INVOLVING, AND USES OF NON-NATURAL AMINO ACIDS AND POLYPEPTIDES PTMS, DAO, DNPEP ITGB3 1225/4885ITGA2B 1525/4885ITGB1 2601/4885

“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.