Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5530304

CC(C)c1nc(N[C@H]2CC[C@@H](C(=O)NCc3ccccc3)CC2)nc2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.57
APP P05067 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2D6 P10635 1/20 0.43
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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 SCHEMBL4201680 0.92 EPHX2 (0.49) EPHX2APPBCHEACHERXFP1
SCHEMBL4217522 0.85 EPHX2 (0.51) EPHX2APPBCHEACHERXFP1
SCHEMBL4217529 0.85 EPHX2 (0.51) EPHX2APPBCHEACHERXFP1
SCHEMBL5528648 0.81 WHR1 (0.50) EPHX2APPBCHEACHE
SCHEMBL5530309 0.79 APP (0.41) EPHX2APPBCHEACHECTNNB1
SCHEMBL4028504 0.79 MCHR1 (0.59) EPHX2APPBCHEACHE
SCHEMBL4028510 0.79 MCHR1 (0.59) EPHX2APPBCHEACHE
SCHEMBL4033615 0.77 NPY5R (0.47) APPBCHEACHEUSP2ALDH1A1
SCHEMBL4033618 0.77 NPY5R (0.47) APPBCHEACHEUSP2ALDH1A1
SCHEMBL5520050 0.76 EPHX2 (0.61) EPHX2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US 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 3017/4885APP 1090/4885BCHE 168/4885

“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.