Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL185630

N#Cc1c(F)cccc1Nc1ccc(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
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
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 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
KDM4E B2RXH2 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
TAS2R14 Q9NYV8 2/20 0.37
PTGS2 P35354 1/20 0.36
BRD4 O60885 1/20 0.35
BPTF Q12830 1/20 0.35
KAT2B Q92831 1/20 0.35
PTK2 Q05397 2/20 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 SCHEMBL185638 0.83 TAS2R14 (0.46) ITGB3ITGB1ITGA5ITGAVITGB5
Trifluoroacetic Acid SCHEMBL185394 0.81 CXCR2 (0.40) LRRK2ITGB3ITGB1ITGA5ITGAV
SCHEMBL2809520 0.81 KDM4E (0.41) LRRK2TAS1R3TAS1R1TAS1R2KDM4E
Trifluoroacetic Acid SCHEMBL185495 0.78 TAS2R14 (0.41) LRRK2ITGB3ITGB1ITGA5ITGAV
Trifluoroacetic Acid SCHEMBL186078 0.78 LRRK2 (0.40) LRRK2ITGB3ITGB1ITGA5ITGAV
SCHEMBL6055534 0.76 HTT (0.49) LRRK2TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL20552263 0.75 TEAD1 (0.50) LRRK2TAS1R3TAS1R1TAS1R2KDM4E
Trifluoroacetic Acid SCHEMBL14856770 0.75 ALDH1A1 (0.46) ITGB3ITGB1ITGA5ITGAVITGB5
SCHEMBL2805119 0.75 KDM4E (0.40) LRRK2TAS1R3TAS1R1TAS1R2KDM4E
SCHEMBL2795820 0.73 LRRK2 (0.36) LRRK2TAS1R3TAS1R1TAS1R2KDM4E

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 LRRK2 2304/4885ITGB3 2114/4885ITGB1 1839/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LRRK2 2304/4885ITGB3 2114/4885ITGB1 1839/4885

“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.