Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6455722

COc1cc(CN[C@H]2CC[C@@H](Nc3nc(C)c(C)c(N(C)C)n3)CC2)cc(OC)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.48
ADRA2A P08913 8/20 0.46
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.43
AURKB Q96GD4 1/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
WHR1 P49842 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
NOS1 P29475 1/20 0.37
NPY5R Q15761 2/20 0.36
FLT3 P36888 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35

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 SCHEMBL6455401 0.82 MCHR1 (0.49) MCHR1ADRA2AHTR1AADRA1AHTR2B
Trifluoroacetic Acid SCHEMBL4263492 0.79 CNR1 (0.44) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6877438 0.78 CARM1 (0.49) MCHR1ADRA2AALDH1A1NPY5R
SCHEMBL6877434 0.78 CARM1 (0.49) MCHR1ADRA2AALDH1A1NPY5R
SCHEMBL6456868 0.77 CNR1 (0.70) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6456888 0.77 CNR1 (0.70) MCHR1ADRA2ACNR1KCNH2AURKB
Trifluoroacetic Acid SCHEMBL6459529 0.77 NPC1 (0.51) MCHR1ADRA2ACNR1KCNH2AURKB
Trifluoroacetic Acid SCHEMBL6873701 0.76 MCHR1 (0.46) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6464429 0.76 TSHR (0.50) MCHR1ADRA2ACNR1KCNH2AURKB
SCHEMBL6877606 0.76 TSHR (0.50) MCHR1ADRA2ACNR1KCNH2AURKB

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 117/4885CNR1 77/4885

“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.