Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL185218

N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc(CN)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.46
HTR2C P28335 1/20 0.42
DHODH Q02127 1/20 0.41
GCGR P47871 1/20 0.40
GAA P10253 1/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NLRP3 Q96P20 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA5 P08648 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
EPHX2 P34913 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 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
SCHEMBL185592 0.92 ACACB (0.42) ACACBHTR2CDHODHGCGRGAA
Trifluoroacetic Acid SCHEMBL186078 0.84 LRRK2 (0.40) GAAFFAR1FFAR4ITGB3ITGB1
SCHEMBL2806045 0.84 ACACB (0.45) ACACBHTR2CDHODHGCGRMAPT
Trifluoroacetic Acid SCHEMBL185638 0.81 TAS2R14 (0.46) GAAITGB3ITGB1ITGAVITGA5
SCHEMBL2809100 0.79 AKT2 (0.44) ACACBHTR2CDHODHGCGRFFAR1
Trifluoroacetic Acid SCHEMBL185495 0.78 TAS2R14 (0.41) FFAR1FFAR4ITGB3ITGB1ITGAV
SCHEMBL2798108 0.77 TRPV1 (0.40) ACACBHTR2CDHODHGCGRFFAR1
SCHEMBL20552334 0.77 TRPV1 (0.44) ACACBDHODHGCGRGAATP53
SCHEMBL27853555 0.72 LRRK2 (0.46) DHODHGAAMAPT
Trifluoroacetic Acid SCHEMBL185630 0.72 LRRK2 (0.40) ITGB3ITGB1ITGAVITGA5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414177-B Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT 2014-07-02 CN disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ACACB 4881/4885HTR2C 3048/4885DHODH 2925/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ACACB 4881/4885HTR2C 3048/4885DHODH 2925/4885

“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.