Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL186252

NCc1ccc(Nc2ccc(Cl)cc2Br)cn1.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
DHODH Q02127 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
USP2 O75604 1/20 0.39
PABPC1 P11940 1/20 0.39
POLB P06746 1/20 0.38
MPO P05164 1/20 0.35
F11 P03951 2/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
GPR6 P46095 1/20 0.33
HTR2C P28335 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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 SCHEMBL2811073 0.87 RAB9A (0.42) DHODHMEN1KMT2AUSP2PABPC1
Trifluoroacetic Acid SCHEMBL186045 0.80 MAPT (0.41) DHODHMEN1KMT2APOLBMPO
Trifluoroacetic Acid SCHEMBL2807624 0.80 MPO (0.38) DHODHMPOPAX8LOXL2
SCHEMBL185410 0.78 RAB9A (0.39) DHODHSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL19418561 0.76 CNR2 (0.35) DHODHMEN1KMT2AUSP2PABPC1
SCHEMBL185800 0.76 MAPK1 (0.42) DHODHMEN1KMT2AUSP2PABPC1
SCHEMBL2805231 0.74 KMT2A (0.38) DHODHMEN1KMT2AUSP2PABPC1
SCHEMBL185746 0.73 F11 (0.40) DHODHMEN1KMT2AUSP2PABPC1
Trifluoroacetic Acid SCHEMBL185939 0.72 FLT3 (0.49) DHODHMEN1KMT2AUSP2PABPC1
Trifluoroacetic Acid SCHEMBL186510 0.72 JAK1 (0.39) PAX8CYP2C9

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 DHODH 2925/4885MEN1 314/4885KMT2A 4682/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 DHODH 2925/4885MEN1 314/4885KMT2A 4682/4885

“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.