Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6458753

Cc1cc(N(C)C)nc(NC[C@H]2CC[C@@H](NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.72

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 16/20 0.72
ADRA2A P08913 4/20 0.72
ADRA1A P35348 3/20 0.72
HRH1 P35367 3/20 0.72
CNR1 P21554 1/20 0.51
KCNH2 Q12809 1/20 0.51
AURKB Q96GD4 1/20 0.51
HTR2B P41595 3/20 0.49
HTR1A P08908 1/20 0.49
CRHR1 P34998 3/20 0.46

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 SCHEMBL6831094 1.00 MCHR1 (0.72) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL6874707 0.89 MCHR1 (0.66) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL6874704 0.89 MCHR1 (0.66) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL6874662 0.88 MCHR1 (0.64) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL6874653 0.88 MCHR1 (0.64) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL6460407 0.84 MCHR1 (1.00) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL6460412 0.84 MCHR1 (1.00) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL7037171 0.83 MCHR1 (0.63) MCHR1ADRA2AADRA1AHRH1CNR1
SCHEMBL7037175 0.83 MCHR1 (0.63) MCHR1ADRA2AADRA1AHRH1CNR1
Hydrochloric Acid SCHEMBL6462406 0.83 MCHR1 (0.98) MCHR1ADRA2AADRA1AHRH1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885ADRA2A 117/4885ADRA1A 209/4885

“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.