Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3831041

Cc1cc(C(=O)Nc2ncc(-c3ccccc3S(C)(=O)=O)cn2)n(-c2cccc(C(=N)N)c2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 18/20 0.79
▸ PRSS1 P07477 17/20 0.79
▸ PRSS2 P07478 17/20 0.79
▸ PRSS3 P35030 17/20 0.79
▸ F10 P00742 12/20 0.79
▸ F9 P00740 1/20 0.62

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
SCHEMBL3830065 0.95 F2 (0.88) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL3834109 0.92 F2 (0.79) F2PRSS1PRSS2PRSS3F10
SCHEMBL3830164 0.89 F10 (0.77) F2PRSS1PRSS2PRSS3F10
SCHEMBL29457993 0.88 F10 (1.00) F2PRSS1PRSS2PRSS3F10
SCHEMBL3836013 0.87 F2 (0.82) F2PRSS1PRSS2PRSS3F10
SCHEMBL3834806 0.86 F2 (0.88) F2PRSS1PRSS2PRSS3F10
SCHEMBL3833386 0.85 F2 (0.79) F2PRSS1PRSS2PRSS3F10
SCHEMBL3830462 0.82 F2 (1.00) F2PRSS1PRSS2PRSS3F10
SCHEMBL3829927 0.81 F2 (0.83) F2PRSS1PRSS2PRSS3F10
SCHEMBL3836037 0.80 F2 (1.00) F2PRSS1PRSS2PRSS3F10

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-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 — — EP disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 — — US disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 — — US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 — — EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 — — WO disclosed