Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5117096

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)n(C(C(N)=O)C(C)ON=C(N)N)c1=O.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 3/20 0.41
SLC5A1 P13866 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
NFKBIA P25963 1/20 0.36
RELA Q04206 1/20 0.36
IDH1 O75874 3/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPK1 P28482 3/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35

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 SCHEMBL5117298 0.89 F2 (0.37) MEN1HTTKMT2ASMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL5116376 0.88 F2 (0.40) MAPTKMT2ALMNANFKBIARELA
Trifluoroacetic Acid SCHEMBL5109388 0.87 PKM (0.39) MEN1MAPTKMT2ASMN1; SMN2NFKBIA
Trifluoroacetic Acid SCHEMBL5117002 0.86 F2 (0.34) MEN1MAPTHTTKMT2ALMNA
Trifluoroacetic Acid SCHEMBL5112396 0.83 F2 (0.39) MEN1HTTKMT2ALMNA
Trifluoroacetic Acid SCHEMBL5123428 0.83 SLC25A1 (0.43) MEN1MAPTKMT2ALMNAALDH1A1
Trifluoroacetic Acid SCHEMBL5110436 0.83 HSD17B2 (0.38)
Trifluoroacetic Acid SCHEMBL5754712 0.83 TSHR (0.36) MEN1MAPTHTTKMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5108073 0.83 F2 (0.37)
Trifluoroacetic Acid SCHEMBL5117325 0.83 F2 (0.41) MEN1HTTKMT2AALDH1A1GAA

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 MEN1 4393/4885MAPT 4711/4885HTT 773/4885
US-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R MEN1 4730/4885MAPT 4574/4885HTT 1042/4885
US-20020086872-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 MEN1 4691/4885MAPT 4654/4885HTT 945/4885
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, PLAT MEN1 4696/4885MAPT 4637/4885HTT 1041/4885
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R MEN1 4730/4885MAPT 4574/4885HTT 1042/4885
US-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 MEN1 4704/4885MAPT 4583/4885HTT 1027/4885

“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.