Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4201680

CC(C)c1nc(N[C@H]2CC[C@@H](C(=O)NCc3cccc(Cl)c3)CC2)nc2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.49
GPR6 P46095 1/20 0.47
ADRA2A P08913 1/20 0.44
MCHR1 Q99705 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
NPY5R Q15761 1/20 0.40
APP P05067 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL4217529 0.95 EPHX2 (0.51) EPHX2ADRA2AMCHR1KMT2AMEN1
SCHEMBL4217522 0.95 EPHX2 (0.51) EPHX2ADRA2AMCHR1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5530304 0.92 EPHX2 (0.57) EPHX2APPBCHEACHERXFP1
SCHEMBL4201687 0.82 ADRA2A (0.40) GPR6ADRA2AMCHR1KMT2AMEN1
SCHEMBL4032207 0.81 MCHR1 (0.66) EPHX2ADRA2AMCHR1KMT2AMEN1
SCHEMBL4032202 0.81 MCHR1 (0.66) EPHX2ADRA2AMCHR1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5521144 0.81 MCHR1 (0.51) EPHX2GPR6ADRA2AMCHR1KMT2A
SCHEMBL5532817 0.75 MCHR1 (0.53) EPHX2ADRA2AMCHR1KMT2ANPY5R
SCHEMBL5532820 0.75 MCHR1 (0.53) EPHX2ADRA2AMCHR1KMT2ANPY5R
SCHEMBL5528648 0.75 WHR1 (0.50) EPHX2ADRA2AMCHR1NPY5RAPP

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
EP-1611109-A4 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO LTD (JP) 2009-06-24 EP disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1611109-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD (JP) 2006-01-04 EP disclosed
WO-2004087680-A1 NOVEL QUINAZOLINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-10-14 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 (1 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 EPHX2 3017/4885GPR6 389/4885ADRA2A 103/4885

“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.