SCHEMBL15901465

SCHEMBL15901465

CCOc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2cccnc2)C(=O)NCc2ccc(CNC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 11/20 0.58
PSMB1 P20618 7/20 0.53
PSMB9 P28065 6/20 0.53
PSMB5 P28074 6/20 0.53
PSMB8 P28062 5/20 0.53
PSMB10 P40306 3/20 0.53
PSMB2 P49721 3/20 0.53
KLK1 P06870 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 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
SCHEMBL14485766 0.91 CTSS (0.54) CTSLCTSB
SCHEMBL17268092 0.90 KLKB1 (0.61) KLKB1PSMB1PSMB9PSMB5PSMB8
SCHEMBL15901012 0.90 KLKB1 (0.61) KLKB1PSMB1PSMB9PSMB5PSMB8
SCHEMBL14485718 0.88 KLKB1 (0.60) KLKB1KLK1
Hydrochloric Acid SCHEMBL14485722 0.88 KLKB1 (0.59) KLKB1KLK1
Hydrochloric Acid SCHEMBL14485714 0.88 KLKB1 (0.59) KLKB1KLK1
SCHEMBL14485503 0.86 KLKB1 (0.64) KLKB1KLK1
SCHEMBL14485498 0.86 KLKB1 (0.64) KLKB1KLK1
SCHEMBL14486042 0.85 KDM4E (0.44) KLKB1PSMB1PSMB9PSMB5PSMB8
SCHEMBL7366740 0.82 PSMB1 (0.62) PSMB1PSMB9PSMB5PSMB8PSMB10

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 6 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
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-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 (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-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 KLKB1 1/4885PSMB1 1232/4885PSMB9 642/4885
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 KLKB1 1/4885PSMB1 1232/4885PSMB9 642/4885

“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.