Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL185180

N#Cc1cc(F)ccc1Nc1cnc(CN)c(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.37
DHODH Q02127 2/20 0.34
MAOB P27338 1/20 0.34
PAX8 Q06710 1/20 0.34
HDAC3 O15379 2/20 0.33
NCOR1 O75376 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
GPR6 P46095 1/20 0.33
MAPK3 P27361 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
MPO P05164 1/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 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
SCHEMBL186635 0.90 LRRK2 (0.42) LRRK2MAOBPRMT5WDR77MAPK3
SCHEMBL2808514 0.82 LRRK2 (0.39) LRRK2DHODHMAOBKCNQ3KCNQ2
Trifluoroacetic Acid SCHEMBL186078 0.81 LRRK2 (0.40) LRRK2TAS2R14FFAR1FFAR4GPR6
SCHEMBL2809625 0.80 LRRK2 (0.36) LRRK2DHODHMAOB
SCHEMBL185672 0.79 FLT1 (0.40) LRRK2DHODHNPC1RAB9A
SCHEMBL185485 0.75 CNR2 (0.37) HDAC3NCOR1PRMT5WDR77HDAC1
Trifluoroacetic Acid SCHEMBL2527625 0.74 FFAR4 (0.40) FFAR1FFAR4GPR6DPP4
Trifluoroacetic Acid SCHEMBL185495 0.73 TAS2R14 (0.41) LRRK2TAS2R14FFAR1FFAR4MPO
SCHEMBL201030 0.72 LRRK2 (0.45) LRRK2DHODHMAOBMAPK3NPC1
Trifluoroacetic Acid SCHEMBL196776 0.70 CHRM4 (0.36) LRRK2GPR6JAK2JAK1

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 2304/4885DHODH 2925/4885MAOB 1822/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LRRK2 2304/4885DHODH 2925/4885MAOB 1822/4885

“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.