Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3534433

Nc1ccc(Oc2ccc(-c3nnc(Nc4ccc(OC(F)(F)F)cc4)[nH]3)cc2)nn1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
BCAT2 O15382 1/20 0.37
ABL1 P00519 4/20 0.36
BCR P11274 3/20 0.36
EPHX2 P34913 2/20 0.35
FAAH O00519 1/20 0.35
DHODH Q02127 1/20 0.35
TP53 P04637 1/20 0.34
CHRNA7 P36544 2/20 0.34
GRK6 P43250 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
CHEK2 O96017 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
SCHEMBL12015905 0.93 KCNH2 (0.42) KCNH2SCN5ASCN9ABCAT2ABL1
Trifluoroacetic Acid SCHEMBL3535556 0.86 KCNH2 (0.38) KCNH2SCN5ASCN9AABL1BCR
Trifluoroacetic Acid SCHEMBL3533384 0.84 CDK8 (0.45) CHEK2
Trifluoroacetic Acid SCHEMBL3537358 0.84 CDK8 (0.43) CHEK2
SCHEMBL12017831 0.82 BCAT2 (0.42) SCN9ABCAT2MAPTMAPK1
SCHEMBL3534437 0.82 ABL1 (0.35) KCNH2SCN5ASCN9AABL1BCR
SCHEMBL12015903 0.79 SCN9A (0.43) KCNH2SCN5ASCN9AABL1BCR
SCHEMBL12015912 0.79 SCN9A (0.43) KCNH2SCN5ASCN9AABL1BCR
SCHEMBL12015913 0.77 MEN1 (0.47) CHEK2
SCHEMBL12015920 0.77 MEN1 (0.42) BCAT2CHEK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2013-09-19 US disclosed
US-8372971-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2013-02-12 US disclosed
EP-2532653-A1 Benzo[1,2,4]triazines as protein kinase modulators Targegen, Inc. (US) 2012-12-12 EP disclosed
US-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2012-08-30 US disclosed
US-8084618-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2011-12-27 US disclosed
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE TARGEGEN, INC. (US) 2010-12-30 US disclosed
US-7652051-B2 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2010-01-26 US disclosed
US-20060079526-A1 Heterocyclic compounds and methods of use TARGEGEN, INC. (US) 2006-04-13 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 (4 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-20120220584-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KCNH2 503/4885SCN5A 1430/4885SCN9A 4338/4885
US-20130243754-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KCNH2 503/4885SCN5A 1430/4885SCN9A 4338/4885
US-20060079526-A1 Heterocyclic compounds and methods of use AADAC, NISCH, PAICS KCNH2 503/4885SCN5A 1430/4885SCN9A 4338/4885
US-20100330069-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AADAC, NISCH, PAICS KCNH2 503/4885SCN5A 1430/4885SCN9A 4338/4885

“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.