SCHEMBL7340775

SCHEMBL7340775

CC(C(=O)O)n1cncc(NS(=O)(=O)Cc2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.45
USP5 P45974 1/20 0.43
PRSS1 P07477 4/20 0.42
PRSS2 P07478 3/20 0.42
PRSS3 P35030 3/20 0.42
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACLY P53396 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL7232610 0.80 HPGD (0.46) F2PRSS1PRSS2PRSS3HPGD
SCHEMBL7225577 0.78 F2 (0.46) F2PRSS1PRSS2PRSS3ACLY
SCHEMBL7233411 0.75 F2 (0.43) F2PRSS1PRSS2PRSS3HPGD
SCHEMBL6800417 0.75 IDO1 (0.48) USP5HPGDALDH1A1
SCHEMBL14423556 0.74 F2 (0.41) F2PRSS1PRSS2PRSS3HPGD
SCHEMBL7232600 0.73 GLO1 (0.41) F2PRSS1PRSS2PRSS3HPGD
SCHEMBL6358400 0.72 F2 (0.43) F2PRSS1PRSS2PRSS3HPGD
Acetic Acid SCHEMBL7225579 0.71 F2 (0.52) F2PRSS1PRSS2PRSS3HPGD
SCHEMBL7702634 0.71 F2 (0.47) F2PRSS1PRSS2PRSS3HPGD
SCHEMBL14423545 0.70 F2 (0.46) F2PRSS1PRSS2PRSS3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804464-B1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INT INC (US) 2002-05-08 EP 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