SCHEMBL6192192

SCHEMBL6192192

CC(=O)N[C@H](Cc1cccc(C#N)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
GPR34 Q9UPC5 1/20 0.54
FOLH1 Q04609 2/20 0.53
NLRP3 Q96P20 1/20 0.48
PIN1 Q13526 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MME P08473 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
GNPAT O15228 1/20 0.45
LMNA P02545 2/20 0.45
PAM P19021 1/20 0.45
GLA P06280 1/20 0.45
TACR1 P25103 1/20 0.44

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
SCHEMBL6191742 1.00 CTSS (0.54) CTSSCTSKGPR34FOLH1NLRP3
SCHEMBL2821322 1.00 CTSS (0.54) CTSSCTSKGPR34FOLH1NLRP3
SCHEMBL14462270 0.86 FOLH1 (0.55) GPR34FOLH1NLRP3PIN1MME
SCHEMBL27307972 0.86 FOLH1 (0.55) GPR34FOLH1NLRP3PIN1MME
SCHEMBL30834629 0.86 FOLH1 (0.55) GPR34FOLH1NLRP3PIN1MME
SCHEMBL34461699 0.86 FOLH1 (0.55) GPR34FOLH1NLRP3PIN1MME
SCHEMBL12247346 0.85 FOLH1 (0.52) GPR34FOLH1NLRP3L3MBTL1MME
SCHEMBL27561728 0.85 NLRP3 (0.53) CTSSCTSKFOLH1NLRP3TACR1
SCHEMBL27484072 0.85 NLRP3 (0.53) CTSSCTSKFOLH1NLRP3TACR1
SCHEMBL23279751 0.84 ACE (0.58) CTSSCTSKGPR34PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951943-B2 Method for preparing and purifying 3-hydroxyamidinophenylalanine compounds WILEX AG (DE) 2011-05-31 US disclosed
EP-1799665-B1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID WILEX AG (DE) 2009-08-19 EP disclosed
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
US-6699895-B2 CYCLIZING THE TERT-BUTYL-THIOUREA DERIVATIVE TO FORM THE END PRODUCT AVENTIS PHARMA S.A. (FR) 2004-03-02 US disclosed
EP-1299365-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same CARRY JEAN-CHRISTOPHE (FR) 2002-12-26 US disclosed
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase CARRY JEAN-CHRISTOPHE (FR) 2002-12-12 US disclosed
US-6451821-B1 ADMINISTERING TO A PATIENT A THERAPEUTICALLY EFFECTIVE AMOUNT OF 2-AMINOTHIAZOLINE DERIVATIVES FOR TREATING OR PREVENTING DISEASE CONDITIONS ASSOCIATED WITH AN ABNORMAL PRODUCTION OF NITRIC OXIDE(NO) AVENTIS PHARMA S.A. (FR) 2002-09-17 US disclosed
US-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase AVENTIS PHARMA S.A. (FR) 2002-02-21 US disclosed
WO-2001094325-A1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 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-20020022631-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible no-synthase NOS2, NOS3, NOS1 CTSS 3866/4885CTSK 4438/4885GPR34 1380/4885
US-20020198243-A1 2-aminothiazoline derivatives and process for preparing the same NOS3, TH, CBR1 CTSS 3131/4885CTSK 4019/4885GPR34 1448/4885
US-20020187987-A1 Use of 2-aminothiazoline derivatives as inhibitors of inducible NO-synthase NOS2, NOS3, NOS1 CTSS 3867/4885CTSK 4466/4885GPR34 1353/4885

“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.