Sugi Predict

Sugi Predict / Compounds / SCHEMBL7681902

SCHEMBL7681902

SCHEMBL7681902

C/C(=C\c1cccc(C(=N)N)c1)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 1.00
▸ PRSS1 P07477 4/20 0.69
▸ F2 P00734 2/20 0.69
▸ KCNH2 Q12809 1/20 0.69
▸ PRSS2 P07478 1/20 0.61
▸ PRSS3 P35030 1/20 0.61

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
SCHEMBL7449076 1.00 F10 (1.00) F10PRSS1F2KCNH2PRSS2
SCHEMBL7448465 0.87 F10 (1.00) F10PRSS1F2KCNH2PRSS2
SCHEMBL7684014 0.85 F10 (1.00) F10PRSS1F2KCNH2PRSS2
SCHEMBL7683899 0.85 F10 (1.00) F10PRSS1F2KCNH2PRSS2
SCHEMBL7454377 0.82 F10 (1.00) F10PRSS1PRSS2PRSS3
SCHEMBL7688330 0.82 F10 (1.00) F10PRSS1PRSS2PRSS3
SCHEMBL7690621 0.82 F10 (1.00) F10PRSS1F2KCNH2
SCHEMBL7688293 0.82 F10 (1.00) F10PRSS1F2KCNH2
SCHEMBL7681967 0.80 F10 (1.00) F10PRSS1F2KCNH2PRSS2
SCHEMBL7451947 0.80 F10 (1.00) F10PRSS1F2KCNH2PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399627-B1 ANTICOAGULANTS; PROTHROMINASE, SERINE PROTEASE INHIBITOR; ACRYLAMIDE DERIVATIVES COR THERAPEUTICS, INC. 2002-06-04 — — US disclosed
EP-1159264-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-12-05 — — EP disclosed
WO-2000047554-A2 INHIBITORS OF FACTOR Xa COR THERAPEUTICS INC. (US) 2000-08-17 — — WO disclosed