SCHEMBL15901012

SCHEMBL15901012

CCOc1ccc(C[C@@H](NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.61
PSMB1 P20618 9/20 0.59
PSMB5 P28074 9/20 0.59
PSMB9 P28065 8/20 0.59
PSMB8 P28062 8/20 0.59
PSMB10 P40306 3/20 0.59
PSMB2 P49721 3/20 0.59
KLK1 P06870 2/20 0.56

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
SCHEMBL17268092 1.00 KLKB1 (0.61) KLKB1PSMB1PSMB5PSMB9PSMB8
SCHEMBL20136152 0.91 CTSS (0.64)
SCHEMBL14485661 0.91 CTSS (0.64)
SCHEMBL15900595 0.91 PSMB1 (0.57) KLKB1PSMB1PSMB5PSMB9PSMB8
SCHEMBL15900597 0.91 PSMB1 (0.57) KLKB1PSMB1PSMB5PSMB9PSMB8
SCHEMBL15901465 0.90 KLKB1 (0.58) KLKB1PSMB1PSMB5PSMB9PSMB8
SCHEMBL14485437 0.89 KLKB1 (0.64) KLKB1KLK1
SCHEMBL14485441 0.89 KLKB1 (0.64) KLKB1KLK1
SCHEMBL14485398 0.88 KLKB1 (0.70) KLKB1KLK1
SCHEMBL14485400 0.88 KLKB1 (0.70) KLKB1KLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729443-B3 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2020-02-12 EP disclosed
EP-2870137-B1 POLYMORPHS OF N-[(R)-1-[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-2-(4-ETHOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE KALVISTA PHARMACEUTICALS LTD (GB) 2018-05-16 EP disclosed
US-9512065-B2 Polymorphs of N-[(R)-1-[(S)-1-(4-aminomethyl-benzylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-(4-ethoxy-phenyl)-ethyl]-benzamide hydrochloride KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-12-06 US disclosed
US-9234000-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2016-01-12 US disclosed
EP-2729443-B1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-11-25 EP disclosed
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LTD (GB) 2015-08-13 US disclosed
US-20150191421-A1 POLYMORPHS OF N-[(R)-1-[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-2-(4-ETHOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-07-09 US disclosed
US-9051249-B2 Benzylamine derivatives as inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2015-06-09 US disclosed
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2014-07-31 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 (3 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-20150191421-A1 POLYMORPHS OF N-[(R)-1-[(S)-1-(4-AMINOMETHYL-BENZYLCARBAMOYL)-2-PHENYL-ETHYLCARBAMOYL]-2-(4-ETHOXY-PHENYL)-ETHYL]-BENZAMIDE HYDROCHLORIDE SCN1A, SCN1B, BBC3 KLKB1 3976/4885PSMB1 2484/4885PSMB5 2192/4885
US-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 KLKB1 1/4885PSMB1 1232/4885PSMB5 1505/4885
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 KLKB1 1/4885PSMB1 1232/4885PSMB5 1505/4885

“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.