SCHEMBL7316652

SCHEMBL7316652

CC(C)(C)C.O=C(O)n1c(C2CC2)ccc(NS(=O)(=O)Cc2ccccc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.51
PRSS1 P07477 9/20 0.51
F10 P00742 3/20 0.42
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ELANE P08246 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
SCHEMBL7309269 0.83 F2 (0.59) F2PRSS1F10PRSS2PRSS3
SCHEMBL7316701 0.79 F2 (0.51) F2PRSS1PRSS2PRSS3ELANE
SCHEMBL7315509 0.73 F2 (0.49) F2PRSS1PRSS2PRSS3
SCHEMBL7451199 0.68 ACLY (0.43) F2PRSS1F10
SCHEMBL8842027 0.68 F2 (0.55) F2PRSS1F10PRSS2PRSS3
SCHEMBL4432108 0.68 F2 (0.77) F2PRSS1F10PRSS2PRSS3
SCHEMBL4421701 0.67 F2 (0.73) F2PRSS1F10PRSS2PRSS3
SCHEMBL8366434 0.66 F2 (0.74) F2PRSS1F10PRSS2PRSS3
SCHEMBL7334148 0.66 F2 (0.58) F2PRSS1F10PRSS2PRSS3
SCHEMBL8495754 0.65 TSHR (0.39) F2PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835109-A4 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5744486-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1998-04-28 US disclosed
EP-0835109-A1 PYRIDINONE-THROMBIN INHIBITORS Merck & Co., Inc. (US) 1998-04-15 EP disclosed
US-5668289-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1997001338-A1 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-01-16 WO disclosed