Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL185939

NC(=O)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.49
KIT P10721 6/20 0.49
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPK10 P53779 2/20 0.41
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
PABPC1 P11940 1/20 0.39
GAA P10253 1/20 0.39
F11 P03951 1/20 0.38
MPO P05164 1/20 0.38
VNN1 O95497 1/20 0.38

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
SCHEMBL2804906 0.95 FLT3 (0.53) FLT3KITCYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL2807127 0.87 FLT3 (0.49) FLT3KITKMT2AMAPK10MPO
Trifluoroacetic Acid SCHEMBL185821 0.87 FLT3 (0.49) FLT3KITKMT2AMAPK10MPO
Trifluoroacetic Acid SCHEMBL2811073 0.86 RAB9A (0.42) CYP1A2CYP2D6CYP2C19RAB9AKMT2A
SCHEMBL186306 0.84 RAB9A (0.46) FLT3KITCYP1A2CYP2D6CYP2C19
SCHEMBL185950 0.83 FLT3 (0.55) FLT3KITKMT2AMAPK10VNN1
Hydrochloric Acid SCHEMBL2805862 0.82 FLT3 (0.54) FLT3KITKMT2AMAPK10VNN1
SCHEMBL2780905 0.78 FLT3 (0.57) FLT3KITKMT2AMAPK10
Trifluoroacetic Acid SCHEMBL14856625 0.78 CNR2 (0.40) FLT3KITCYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL2809036 0.78 RAB9A (0.38) CYP1A2CYP2D6CYP2C19RAB9AKMT2A

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 4 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-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 FLT3 632/4885KIT 989/4885CYP1A2 892/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FLT3 632/4885KIT 989/4885CYP1A2 892/4885

“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.