Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL186045

Cc1cc(Br)ccc1Nc1ccc(CN)nc1.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
MAPT P10636 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.38
EGFR P00533 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
DHODH Q02127 6/20 0.36
SORT1 Q99523 1/20 0.35
MPO P05164 1/20 0.35
CHIT1 Q13231 1/20 0.35
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34

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 SCHEMBL2807624 0.87 MPO (0.38) EGFRDHODHMPO
Trifluoroacetic Acid SCHEMBL186252 0.80 DHODH (0.40) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL186066 0.78 OPRM1 (0.37) EGFRMPO
Trifluoroacetic Acid SCHEMBL2811073 0.76 RAB9A (0.42) MAPTCYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL27870330 0.75 CCR5 (0.33) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL185188 0.74 KMT2A (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL14856648 0.74 FLT3 (0.38) EGFRDHODHMPONPC1RAB9A
Trifluoroacetic Acid SCHEMBL2807127 0.72 FLT3 (0.49) EGFRKMT2AMPO
Trifluoroacetic Acid SCHEMBL185821 0.72 FLT3 (0.49) EGFRKMT2AMPO
Trifluoroacetic Acid SCHEMBL185819 0.72 MPO (0.36) EGFRDHODHSORT1MPO

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 MAPT 4326/4885CYP1A2 892/4885CYP3A4 467/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MAPT 4326/4885CYP1A2 892/4885CYP3A4 467/4885

“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.