Sugi Predict

Sugi Predict / Compounds / SCHEMBL4613293

SCHEMBL4613293

SCHEMBL4613293

NCc1ccc(CNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 4/20 0.71
▸ PRSS1 P07477 3/20 0.71
▸ TPSD1 Q9BZJ3 1/20 0.71
▸ TPSG1 Q9NRR2 1/20 0.71
▸ PLAU P00749 1/20 0.68
▸ CYP1A2 P05177 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ TSHR P16473 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ HDAC1 Q13547 2/20 0.61
▸ HDAC2 Q92769 2/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ PLG P00747 1/20 0.60
▸ LMNA P02545 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ NAMPT P43490 1/20 0.54
▸ TNKS O95271 1/20 0.54
▸ TNKS2 Q9H2K2 1/20 0.54
▸ HTT P42858 1/20 0.54

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
Hydrochloric Acid SCHEMBL14485619 0.98 TPSAB1 (0.69) TPSAB1PRSS1TPSD1TPSG1PLAU
SCHEMBL7075208 0.91 TPSAB1 (0.59) TPSAB1PRSS1TPSD1TPSG1PLAU
Benzyl Benzylcarbamate SCHEMBL1136818 0.90 PLAU (0.70) TPSAB1PRSS1TPSD1TPSG1PLAU
Benzyl Benzylcarbamate SCHEMBL19810513 0.89 PLAU (0.68) TPSAB1PRSS1TPSD1TPSG1PLAU
Benzyl Benzylcarbamate SCHEMBL9998166 0.89 PLAU (0.68) TPSAB1PRSS1TPSD1TPSG1PLAU
Benzyl Benzylcarbamate SCHEMBL28413454 0.89 PLAU (0.68) TPSAB1PRSS1TPSD1TPSG1PLAU
SCHEMBL29176117 0.88 PLAU (0.68) TPSAB1PRSS1TPSD1TPSG1PLAU
SCHEMBL3183198 0.88 PLAU (0.68) TPSAB1PRSS1TPSD1TPSG1PLAU
SCHEMBL191161 0.87 PLAU (0.68) TPSAB1PRSS1TPSD1TPSG1PLAU
Hydrochloric Acid SCHEMBL23497639 0.86 PLAU (0.67) TPSAB1PRSS1TPSD1TPSG1PLAU

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 19 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
CN-103687846-B Benzyl amine derivative as inhibitors of plasma kallikrein 卡尔维斯塔制药有限公司 2016-06-22 — — CN 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
EP-2729443-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN Kalvista Pharmaceuticals Limited (GB) 2014-05-14 — — EP disclosed
WO-2013005045-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KALVISTA PHARMACEUTICALS LIMITED (GB) 2013-01-10 — — WO disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 — — EP disclosed
EP-1633714-B1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LTD (GB) 2008-01-23 — — EP disclosed
US-7067541-B2 2-amino-pyridine derivatives useful for the treatment of diseases PFIZER INC (US) 2006-06-27 — — US disclosed
EP-1633714-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS Pfizer Limited (GB) 2006-03-15 — — EP disclosed
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PFIZER INC 2005-01-06 — — US disclosed
WO-2004108675-A1 2-AMINO-PYRIDINE DERIVATIVES AS BETA-2 ADRENORECEPTOR AGONISTS PFIZER LIMITED (GB) 2004-12-16 — — WO disclosed
EP-0680469-B1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME BOEHRINGER INGELHEIM PHARMA (DE) 2000-04-26 — — EP disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 — — US disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 — — EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 — — 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 (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-20150225450-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 TPSAB1 22/4885PRSS1 44/4885TPSD1 138/4885
US-20050004182-A1 2-Amino-pyridine derivatives useful for the treatment of diseases PAH, AADAT, IL4I1 TPSAB1 53/4885PRSS1 1449/4885TPSD1 183/4885
US-20140213611-A1 BENZYLAMINE DERIVATIVES AS INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK1, BDKRB1 TPSAB1 22/4885PRSS1 44/4885TPSD1 138/4885

“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.