Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL185495

N#Cc1ccc(F)cc1Nc1ccc(CN)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
LRRK2 Q5S007 1/20 0.40
ITGB3 P05106 4/20 0.39
ITGB1 P05556 4/20 0.39
ITGA5 P08648 4/20 0.39
ITGAV P06756 3/20 0.39
AR P10275 4/20 0.38
ITGB5 P18084 2/20 0.38
ITGB2 P05107 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGAL P20701 1/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MPO P05164 1/20 0.36
NAMPT P43490 1/20 0.35
ITGA2B P08514 1/20 0.35
BRD4 O60885 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 SCHEMBL186078 0.91 LRRK2 (0.40) TAS2R14FFAR1FFAR4LRRK2ITGB3
SCHEMBL185390 0.89 LRRK2 (0.47) FFAR1FFAR4LRRK2BRD4BPTF
Trifluoroacetic Acid SCHEMBL185638 0.84 TAS2R14 (0.46) TAS2R14ITGB3ITGB1ITGA5ITGAV
SCHEMBL2806814 0.80 LRRK2 (0.42) TAS2R14FFAR1FFAR4LRRK2NAMPT
SCHEMBL27853555 0.79 LRRK2 (0.46) LRRK2BRD4BPTFKAT2B
Trifluoroacetic Acid SCHEMBL185218 0.78 ACACB (0.46) TAS2R14FFAR1FFAR4ITGB3ITGB1
Trifluoroacetic Acid SCHEMBL185630 0.78 LRRK2 (0.40) TAS2R14LRRK2ITGB3ITGB1ITGA5
Trifluoroacetic Acid SCHEMBL185394 0.78 CXCR2 (0.40) TAS2R14FFAR1LRRK2ITGB3ITGB1
SCHEMBL20552693 0.74 LRRK2 (0.51) TAS2R14LRRK2ARMPO
SCHEMBL2805481 0.74 AKT2 (0.39) LRRK2NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 TAS2R14 477/4885FFAR1 532/4885FFAR4 1544/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 TAS2R14 477/4885FFAR1 532/4885FFAR4 1544/4885

“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.