Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6459529

COc1cccc(NC(=O)N[C@H]2CC[C@@H](Nc3nc(C)c(C)c(N(C)C)n3)CC2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MCHR1 Q99705 8/20 0.51
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ADRA2A P08913 6/20 0.47
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
CXCR3 P49682 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
CNR1 P21554 1/20 0.40
KCNH2 Q12809 1/20 0.40
AURKB Q96GD4 1/20 0.40
USP2 O75604 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
Trifluoroacetic Acid SCHEMBL6828256 0.84 MCHR1 (0.56) MCHR1ADRA2AHTR1A
Trifluoroacetic Acid SCHEMBL6455911 0.84 MCHR1 (0.56) MCHR1ADRA2AHTR1A
SCHEMBL6459533 0.83 MCHR1 (0.44) NPC1RAB9AMCHR1MAPTKMT2A
SCHEMBL4037165 0.82 MCHR1 (0.69) NPC1RAB9AMCHR1MAPTKMT2A
SCHEMBL4037177 0.82 MCHR1 (0.69) NPC1RAB9AMCHR1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL6873701 0.81 MCHR1 (0.46) MCHR1ADRA2AHTR1ACNR1KCNH2
SCHEMBL6460884 0.81 MCHR1 (0.60) NPC1RAB9AMCHR1MAPTKMT2A
SCHEMBL6460896 0.81 MCHR1 (0.60) NPC1RAB9AMCHR1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL4257937 0.81 NPC1 (0.52) NPC1RAB9AMCHR1MAPTKMT2A
SCHEMBL6464865 0.81 MCHR1 (0.55) NPC1MCHR1MAPTKMT2AMEN1

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 NPC1 778/4885RAB9A 1648/4885MCHR1 2/4885

“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.