Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5108698

COc1ccc(Br)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 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 6/20 0.40
MYC P01106 1/20 0.39
ALPL P05186 2/20 0.38
ACLY P53396 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 6/20 0.37
EDNRB P24530 2/20 0.35
EDNRA P25101 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 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 SCHEMBL5116149 0.92 SMN1; SMN2 (0.40) ACLYSMN1; SMN2GAAKMT2A
Trifluoroacetic Acid SCHEMBL5117115 0.92 KMT2A (0.43) ALPLSMN1; SMN2KDM4EGAAKMT2A
Trifluoroacetic Acid SCHEMBL5116752 0.91 CPT1A (0.41) WDR5MYCALPLBRD4KMT2A
Trifluoroacetic Acid SCHEMBL5852443 0.88 CTSD (0.41) SMN1; SMN2KDM4EKMT2A
Trifluoroacetic Acid SCHEMBL5116316 0.88 METAP2 (0.38) GAAKMT2A
Trifluoroacetic Acid SCHEMBL5122990 0.86 METAP2 (0.38) KDM4EGAAKMT2A
Trifluoroacetic Acid SCHEMBL5115914 0.85 F2 (0.42) WDR5BRD4GAAKMT2A
Trifluoroacetic Acid SCHEMBL5117298 0.84 F2 (0.37) SMN1; SMN2KDM4EGAAKMT2A
Trifluoroacetic Acid SCHEMBL5754712 0.84 TSHR (0.36) SMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL5117002 0.84 F2 (0.34) BRD4GAAKMT2A

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 WDR5 1156/4885MYC 3960/4885ALPL 1573/4885
US-20030225115-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R WDR5 2624/4885MYC 4143/4885ALPL 1649/4885
US-20020086872-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 WDR5 2770/4885MYC 4176/4885ALPL 1966/4885
US-20020007070-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, PLAT WDR5 2719/4885MYC 4179/4885ALPL 1919/4885
US-20030087921-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, F2R WDR5 2624/4885MYC 4143/4885ALPL 1649/4885
US-20040106633-A1 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 WDR5 2740/4885MYC 4166/4885ALPL 1648/4885

“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.