Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5117769

Cc1ccc(NS(=O)(=O)c2cccc(C#N)c2)c(=O)n1C(C(N)=O)C(C)ON=C(N)N.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
TRIM24 O15164 1/20 0.39
MAPT P10636 1/20 0.39
ACLY P53396 2/20 0.38
CRBN Q96SW2 1/20 0.37
ELANE P08246 3/20 0.36
PGR P06401 1/20 0.35
CCKBR P32239 1/20 0.34
CCR9 P51686 2/20 0.34
GLO1 Q04760 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
BRD1 O95696 1/20 0.33
BRPF1 P55201 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.33
PGAM1 P18669 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL5125238 0.90 F2 (0.51) F2F10MAPTELANEKDM4E
Trifluoroacetic Acid SCHEMBL5117325 0.90 F2 (0.41) F2F10ELANEALDH1A1
Trifluoroacetic Acid SCHEMBL5116023 0.89 F2 (0.43) F2F10ELANE
Trifluoroacetic Acid SCHEMBL5115914 0.89 F2 (0.42) F2F10ELANECCR9
Trifluoroacetic Acid SCHEMBL5116094 0.89 F2 (0.42) F2F10ACLYELANEPGR
Trifluoroacetic Acid SCHEMBL5117128 0.89 MEN1 (0.44) F2F10ACLYELANEPGR
Trifluoroacetic Acid SCHEMBL5116376 0.86 F2 (0.40) F2F10MAPTPGRKDM4E
Trifluoroacetic Acid SCHEMBL5112396 0.86 F2 (0.39) F2F10ELANE
Trifluoroacetic Acid SCHEMBL5117256 0.85 ALDH1A1 (0.40) F2F10MAPTELANEKDM4E
Trifluoroacetic Acid SCHEMBL5110367 0.85 ELANE (0.40) F2F10MAPTACLYELANE

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 RXFP1 242/4885F2 26/4885F10 74/4885
US-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R RXFP1 342/4885F2 28/4885F10 127/4885
US-20020086872-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 RXFP1 293/4885F2 27/4885F10 115/4885
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, PLAT RXFP1 346/4885F2 26/4885F10 116/4885
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R RXFP1 342/4885F2 28/4885F10 127/4885
US-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 RXFP1 339/4885F2 27/4885F10 125/4885

“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.