SCHEMBL2525700

SCHEMBL2525700

N=C(N)c1ccc(NCC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.62
ITGB3 P05106 2/20 0.61
ITGA2B P08514 2/20 0.61
F2 P00734 3/20 0.58
PRSS2 P07478 3/20 0.58
PRSS3 P35030 3/20 0.58
TMPRSS6 Q8IU80 3/20 0.58
ST14 Q9Y5Y6 3/20 0.58

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
Phosphonic Acid SCHEMBL15485473 0.95 PRSS1 (0.57) PRSS1ITGB3ITGA2BF2PRSS2
SCHEMBL7148427 0.87 PRSS1 (0.61) PRSS1ITGB3ITGA2BF2PRSS2
SCHEMBL8639589 0.85 L3MBTL1 (0.46) PRSS1ITGB3ITGA2B
SCHEMBL5692310 0.82 ALDH1A1 (0.44)
SCHEMBL2524064 0.81 ITGB3 (0.43) PRSS1ITGB3ITGA2BF2PRSS2
SCHEMBL11647073 0.80 CA1 (0.41) PRSS1ITGB3ITGA2B
SCHEMBL400499 0.80 TP53 (0.52)
SCHEMBL29051542 0.80 ALDH1A1 (0.46) ITGB3ITGA2B
SCHEMBL6370923 0.80 ITGB3 (0.43) PRSS1ITGB3ITGA2BF2PRSS2
SCHEMBL4426386 0.80 F7 (0.64) PRSS1ITGB3ITGA2BF2PRSS2

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US claimed
US-6649593-B1 Amino acid derivatives including serine, leucine, valine, arginine, asparginine, methionine, glycine and phenylalanine units; S1 protease inhibition; modulation of cholesterol homeostasis in cells TULARIK INC. 2003-11-18 US claimed
US-20020061839-A1 Serine peptidase modulators SCHARPE SIMON LODEWIJK (BE) 2002-05-23 US claimed
JP-2002506075-A 2002-02-26 JP claimed
WO-2001027138-A2 MODULATORS OF SREBP PROCESSING TULARIK INC. (US) 2001-04-19 WO claimed
EP-1062222-A1 SERINE PEPTIDASE MODULATORS Fondatech Benelux N.V. (BE) 2000-12-27 EP claimed
WO-1999046272-A1 SERINE PEPTIDASE MODULATORS FONDATECH BENELUX N.V. (BE) 1999-09-16 WO claimed
WO-2018128828-A1 NOVEL HEPCIDIN MIMETICS AND USES THEREOF BAYER HEALTHCARE LLC (US) 2018-07-12 WO disclosed
WO-2014041559-A2 PROCESS FOR THE PREPARATION OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF GLENMARK PHARMACEUTICALS LIMITED; GLENMARK GENERICS LIMITED (IN) 2014-03-20 WO disclosed
US-8524657-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2013-09-03 US disclosed
EP-1836159-B1 Antibiotic binaphthyl derivatives UNIV WOLLONGONG (AU) 2013-04-10 EP disclosed
US-20110312875-A1 PEPTIDIC COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2011-12-22 US disclosed
US-8039430-B2 Peptidic compounds UNIVERSITY OF WOLLONGONG (AU) 2011-10-18 US disclosed
WO-2001027138-A2 MODULATORS OF SREBP PROCESSING TULARIK INC. (US) 2001-04-19 WO disclosed
EP-1062222-A1 SERINE PEPTIDASE MODULATORS Fondatech Benelux N.V. (BE) 2000-12-27 EP disclosed
WO-2000075172-A2 FACTOR VIIa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-14 WO disclosed
EP-1059302-A1 Factor VIIa inhibitors Aventis Pharma Deutschland GmbH (DE) 2000-12-13 EP disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
WO-1999046272-A1 SERINE PEPTIDASE MODULATORS FONDATECH BENELUX N.V. (BE) 1999-09-16 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-20020061839-A1 Serine peptidase modulators FAP, CTSC, DPP4 PRSS1 16/4885ITGB3 3568/4885ITGA2B 3720/4885
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 PRSS1 83/4885ITGB3 1459/4885ITGA2B 795/4885
US-20110312875-A1 PEPTIDIC COMPOUNDS VIP, NGLY1, FURIN PRSS1 278/4885ITGB3 2456/4885ITGA2B 3961/4885

“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.