Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5116219

Cc1ccc(NS(=O)(=O)Cc2cc(Cl)ccc2Cl)c(=O)n1CC(=O)NCCONC(=N)N.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.59
PRSS1 P07477 12/20 0.59
PRSS2 P07478 3/20 0.59
PRSS3 P35030 3/20 0.59
F10 P00742 3/20 0.47

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
SCHEMBL5755992 0.95 F2 (0.62) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL5123107 0.94 F2 (0.53) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL5116965 0.91 F2 (0.53) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL5116092 0.89 F2 (0.56) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL5118158 0.89 F2 (0.48) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL5123601 0.89 F2 (0.52) F2PRSS1PRSS2PRSS3F10
SCHEMBL5755807 0.89 F2 (0.56) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL5113511 0.88 F2 (0.64) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL5124943 0.88 F2 (0.48) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL5110421 0.88 F2 (0.48) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
EP-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP disclosed
US-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-09-21 US disclosed
US-7029654-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-06-03 US disclosed
US-6706021-B2 ANTICOAGULANT FOR CATHETERS, DIALYSIS MACHINES, SYRINGES, TUBES, BLOOD LINES AND STENTS; TRYPSIN-LIKE SERINE PROTEASES SUCH AS THROMBIN; 3-BENZYLSULFONYLAMINO-6-METHYL-1-((2-GUANIDINOOXYETHYL) AMINOCARBONYLMETHYL)-2-PYRIDINONE 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-12-04 US disclosed
US-6566379-B1 As proteolytic enzyme inhibitors; thrombin inhibitors; for therapy of pancreatitis, thrombosis, ischemia, stroke, restenosis, emphysema or inflammation in a mammal 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-20 US disclosed
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-08 US disclosed
US-6472399-B2 ANTICOAGULANTS; MAY BE EMBEDDED IN OR PHYSICALLY LINKED TO MATERIALS USED IN MANUFACTURE OF DEVICES USED IN BLOOD COLLECTION, CIRCULATION, STENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020086872-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors LU TIANBAO (US) 2002-07-04 US disclosed
US-6350764-B2 FOR INHIBITING LOSS OF BLOOD PLATELETS; INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, FIBRIN, THROMBUS, AND EMBOLUS; ANTICOAGULANTS EMBEDDED IN DEVICES FOR BLOOD COLLECTION, CIRCULATION, STORAGE (CATHETERS, DIALYSIS MACHINES); STENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-26 US disclosed
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors LU TIANBAO (US) 2002-01-17 US disclosed
US-6245763-B1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-06-12 US disclosed
US-6037356-A ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 F2 26/4885PRSS1 47/4885PRSS2 41/4885
US-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R F2 28/4885PRSS1 32/4885PRSS2 41/4885
US-20020086872-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 F2 27/4885PRSS1 33/4885PRSS2 44/4885
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, PLAT F2 26/4885PRSS1 32/4885PRSS2 43/4885
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R F2 28/4885PRSS1 32/4885PRSS2 41/4885
US-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 F2 27/4885PRSS1 32/4885PRSS2 41/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.