Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5117115

COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)n(C(C(N)=O)C(C)ON=C(N)N)c2=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.39
ALPL P05186 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.36

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 SCHEMBL5116149 0.93 SMN1; SMN2 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5116752 0.92 CPT1A (0.41) KMT2AMEN1ALDH1A1TP53NPC1
Trifluoroacetic Acid SCHEMBL5108698 0.92 WDR5 (0.40) KMT2ASMN1; SMN2GAAKDM4EPKM
Trifluoroacetic Acid SCHEMBL5123158 0.89 ELANE (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL5852443 0.88 CTSD (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL5117298 0.84 F2 (0.37) KMT2AMEN1SMN1; SMN2ALDH1A1GAA
Trifluoroacetic Acid SCHEMBL5754712 0.84 TSHR (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5117002 0.84 F2 (0.34) KMT2AMEN1ALDH1A1MAPTGAA
Trifluoroacetic Acid SCHEMBL5117325 0.84 F2 (0.41) KMT2AMEN1ALDH1A1GAAHTT
Trifluoroacetic Acid SCHEMBL5123570 0.84 MRGPRX1 (0.41) MAPTKDM4EALPLNPSR1

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 KMT2A 2830/4885MEN1 4393/4885SMN1; SMN2 3262/4885
US-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R KMT2A 2914/4885MEN1 4730/4885SMN1; SMN2 3824/4885
US-20020086872-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 KMT2A 3023/4885MEN1 4691/4885SMN1; SMN2 3558/4885
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, PLAT KMT2A 2923/4885MEN1 4696/4885SMN1; SMN2 3628/4885
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R KMT2A 2914/4885MEN1 4730/4885SMN1; SMN2 3824/4885
US-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 KMT2A 3001/4885MEN1 4704/4885SMN1; SMN2 3787/4885

“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.