Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6457352

Cc1cc(N[C@H]2CC[C@@H](NCc3ccc(F)c(F)c3)CC2)nc2ccccc12.O=C(O)C(F)(F)F.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
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
MCHR1 Q99705 11/20 0.50
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
NPY5R Q15761 1/20 0.41
GPR6 P46095 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
S1PR3 Q99500 1/20 0.39
NTRK1 P04629 1/20 0.39

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 SCHEMBL7066893 0.88 KDM4E (0.50) KDM4ESMN1; SMN2LMNAMCHR1HTR1A
Trifluoroacetic Acid SCHEMBL6457296 0.88 KDM4E (0.50) KDM4ESMN1; SMN2LMNAMCHR1HTR1A
Trifluoroacetic Acid SCHEMBL6455648 0.88 KDM4E (0.52) KDM4ESMN1; SMN2LMNAMCHR1ALDH1A1
Trifluoroacetic Acid SCHEMBL6458433 0.85 MCHR1 (0.53) KDM4ESMN1; SMN2LMNAMCHR1ALDH1A1
SCHEMBL6455435 0.83 KDM4E (0.55) KDM4ESMN1; SMN2LMNAMCHR1ALDH1A1
SCHEMBL6455439 0.83 KDM4E (0.55) KDM4ESMN1; SMN2LMNAMCHR1ALDH1A1
Trifluoroacetic Acid SCHEMBL6462476 0.83 MCHR1 (0.61) KDM4ESMN1; SMN2LMNAMCHR1HTR1A
SCHEMBL6463260 0.78 KDM4E (0.61) KDM4ESMN1; SMN2LMNAMCHR1ALDH1A1
SCHEMBL6463272 0.78 KDM4E (0.61) KDM4ESMN1; SMN2LMNAMCHR1ALDH1A1
Trifluoroacetic Acid SCHEMBL6876531 0.78 KDM4E (0.56) KDM4ESMN1; SMN2LMNAMCHR1ALDH1A1

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 KDM4E 1190/4885SMN1; SMN2 1477/4885LMNA 3391/4885

“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.