SCHEMBL1797490

SCHEMBL1797490

CC(C)(C)OC(=O)N(C#N)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.47
CTSK P43235 7/20 0.47
CTSB P07858 5/20 0.47
CTSL P07711 4/20 0.47
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43
ATM Q13315 1/20 0.41
ACE P12821 1/20 0.40
SLC7A5 Q01650 1/20 0.39
ANPEP P15144 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1797492 1.00 CTSS (0.47) CTSSCTSKCTSBCTSLITGA4
SCHEMBL8838179 0.83 CTSS (0.46) CTSSCTSKCTSBCTSLITGA4
SCHEMBL7310586 0.83 TSHR (0.45) CTSSCTSKCTSBCTSL
SCHEMBL8392929 0.82 ATM (0.45) CTSSCTSKCTSBCTSLITGA4
SCHEMBL9321962 0.82 ATM (0.45) CTSSCTSKCTSBCTSLITGA4
SCHEMBL11651226 0.82 ATM (0.45) CTSSCTSKCTSBCTSLITGA4
SCHEMBL1310667 0.81 ITGA4 (0.44) CTSSCTSKCTSBCTSLITGA4
SCHEMBL11888719 0.81 ITGA4 (0.44) CTSSCTSKCTSBCTSLITGA4
SCHEMBL2476924 0.81 MMP13 (0.46) CTSSCTSKCTSBCTSLITGA4
SCHEMBL1401042 0.81 MMP13 (0.46) CTSSCTSKCTSBCTSLITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5097793-A None JP disclosed
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
US-20090099360-A9 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid WILEX AG (DE) 2009-04-16 US disclosed
US-20080039626-A1 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid WILEX AG (DE) 2008-02-14 US disclosed
EP-1799665-A1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID Wilex AG (DE) 2007-06-27 EP disclosed
WO-2006042678-A1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID WILEX AG (DE) 2006-04-27 WO disclosed
EP-0508220-B1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE AG (DE) 1995-07-26 EP disclosed
US-5274098-A Amidinophenylalanine derivatives, process for their preparation, their use and compositions containing them BEHRINGWERKE AKTIENGESELLSCHAFT (DE) 1993-12-28 US disclosed
JP-H0597793-A AMIDINOPHENYLALANINE DERIVATIVE BEHRINGWERKE AG 1993-04-20 JP disclosed
EP-0508220-A1 Derivatives of amindinophenylalanine, procedure for their preparation, their utilisation and compositions comprising them BEHRINGWERKE Aktiengesellschaft (DE) 1992-10-14 EP 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-20090099360-A9 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid PEPD, PAH, PRSS3 CTSS 81/4885CTSK 206/4885CTSB 363/4885
US-20080039626-A1 Method for Cleaning 3-Hydroxyamidinophenylalanine Derivatives by the Precepitation and Recrystallization of Salt and an Aromatic Sulfonic Acid PEPD, PAH, PRSS3 CTSS 81/4885CTSK 206/4885CTSB 363/4885

“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.