Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1189244

NNc1nnc(Cl)cc1C1CC1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
DPP4 P27487 3/20 0.32
DPP7 Q9UHL4 3/20 0.32
TRPV1 Q8NER1 1/20 0.31
HTR2C P28335 2/20 0.31
PANK3 Q9H999 1/20 0.30
WHR1 P49842 1/20 0.30
EHMT2 Q96KQ7 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL2857188 0.85 ALDH1A1 (0.34)
Trifluoroacetic Acid SCHEMBL1190388 0.76 SYK (0.36) JUNNFKB1NFKB2RELA
Trifluoroacetic Acid SCHEMBL1188388 0.76 MEN1 (0.31) DPP4DPP7HTR2CKDM1A
SCHEMBL1189247 0.75 JUN (0.31) JUNNFKB1NFKB2RELA
Trifluoroacetic Acid SCHEMBL1190067 0.75 JUN (0.34) JUNNFKB1NFKB2RELADPP4
Trifluoroacetic Acid SCHEMBL1188288 0.74 PTGS2 (0.33) JUNNFKB1NFKB2RELADPP4
Trifluoroacetic Acid SCHEMBL1188537 0.69 ALDH1A1 (0.36)
SCHEMBL1179917 0.66 MAPT (0.43)
SCHEMBL23499423 0.66 JAK1 (0.36) PANK3
SCHEMBL23499426 0.66 JAK1 (0.36) PANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 US disclosed
US-8853206-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2014-10-07 US disclosed
CN-101981034-B Triazolopyridazines as PAR1 inhibitors, their preparation and their use for producing medicaments SANOFI AVENTIS 2013-08-14 CN disclosed
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI (FR) 2012-08-16 US disclosed
US-8198272-B2 Triazolium salts as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2012-06-12 US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 US disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 US disclosed
CN-101981034-A Triazolopyridazines as PAR1 inhibitors, their preparation and their use as medicaments SANOFI AVENTIS 2011-02-23 CN disclosed
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 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-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 JUN 2916/4885NFKB1 1438/4885NFKB2 3131/4885
US-20120208805-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 JUN 4198/4885NFKB1 1289/4885NFKB2 2403/4885
US-20110034452-A1 TRIAZOLIUM SALTS AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 JUN 4220/4885NFKB1 1339/4885NFKB2 2396/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 JUN 2916/4885NFKB1 1438/4885NFKB2 3131/4885

“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.