SCHEMBL7224142

SCHEMBL7224142

CCOC(=O)Cn1c(=O)c(NS(=O)(=O)Cc2ccccc2)cn(COC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.47
PRSS1 P07477 7/20 0.43
ALDH1A1 P00352 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 1/20 0.41

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
SCHEMBL7224916 0.89 F2 (0.48) F2PRSS1PRSS2PRSS3F10
SCHEMBL7226284 0.86 F2 (0.53) F2PRSS1ALDH1A1PRSS2PRSS3
SCHEMBL5847860 0.83 F2 (0.48) F2PRSS1PRSS2PRSS3MEN1
SCHEMBL23460608 0.78 F2 (0.54) F2PRSS1ALDH1A1PRSS2PRSS3
SCHEMBL7233400 0.73 F2 (0.57) F2PRSS1PRSS2PRSS3F10
SCHEMBL7225592 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL23474325 0.71 F2 (0.60) F2PRSS1PRSS2PRSS3F10
SCHEMBL23511243 0.69 F2 (0.46) F2PRSS1PRSS2PRSS3KMT2A
SCHEMBL4421701 0.69 F2 (0.73) F2PRSS1PRSS2PRSS3F10
SCHEMBL7232479 0.69 TNF (0.46) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608204-B1 Peptide aldehyde having arginine or arginine mimics at P1 and pyridone, pyrimidone, or uracil groups; antithrombosis agents CORVAS INTERNATIONAL, INC. 2003-08-19 US disclosed
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP disclosed
US-6342504-B1 PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2002-01-29 US disclosed
US-6011158-A PEPTIDE ALDEHYDE COMPOUNDS HAVING ARGININE OR ARGININE MIMICS AT P1 AND PYRIDONE, PYRIMIDONE, OR URACIL GROUPS AS PART OF THE PEPTIDE BACKBONE. THESE COMPOUNDS ARE POTENT INHIBITORS OF THROMBIN IN VIVO AND IN VITRO. CORVAS INTERNATIONAL, INC. (US) 2000-01-04 US disclosed
US-6008351-A PEPTIDE ALDEHYDE COMPOUNDS HAVING URACIL OR PYRIMIDIN-4-ONE GROUPS AS PART OF THE PEPTIDE BACKBONE; POTENT INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1999-12-28 US disclosed
US-5658930-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-08-19 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed