Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL185394

N#Cc1cccc(F)c1Nc1ccc(CN)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.40
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
ITGB5 P18084 2/20 0.38
ITGB2 P05107 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGAL P20701 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.34
FFAR1 O14842 1/20 0.34
MELK Q14680 1/20 0.34
ROCK2 O75116 1/20 0.34
ITGA2B P08514 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
Trifluoroacetic Acid SCHEMBL185638 0.83 TAS2R14 (0.46) CXCR2ITGB3ITGB1ITGA5ITGAV
Trifluoroacetic Acid SCHEMBL185630 0.81 LRRK2 (0.40) LRRK2ITGB3ITGB1ITGA5ITGAV
SCHEMBL2810373 0.81 CYP1A2 (0.41) CXCR2LRRK2FFAR1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL186078 0.78 LRRK2 (0.40) LRRK2ITGB3ITGB1ITGA5ITGAV
Trifluoroacetic Acid SCHEMBL185495 0.78 TAS2R14 (0.41) LRRK2ITGB3ITGB1ITGA5ITGAV
SCHEMBL20552291 0.75 LRRK2 (0.49) CXCR2LRRK2TAS2R14
SCHEMBL2809562 0.75 LRRK2 (0.37) CXCR2LRRK2ROCK2HDAC6
SCHEMBL2809557 0.74 METAP2 (0.38) CXCR2LRRK2ROCK2JAK2JAK1
SCHEMBL197559 0.72 LRRK2 (0.48) CXCR2LRRK2CYP1A2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL27508469 0.72 LOXL2 (0.66) ITGB3ITGB1ITGA5ITGAVFFAR1

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 CXCR2 1262/4885LRRK2 2304/4885ITGB3 2114/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CXCR2 1262/4885LRRK2 2304/4885ITGB3 2114/4885

“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.