Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6462799

COc1ccc(C(=O)N[C@H]2CC[C@@H](Nc3cc(C)c4ccccc4n3)CC2)c(OC)n1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
KLK7 P49862 1/20 0.44
MAPT P10636 4/20 0.44
RXFP1 Q9HBX9 3/20 0.44
TP53 P04637 3/20 0.43
ADRA2A P08913 1/20 0.43
MCHR1 Q99705 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6462922 0.95 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ELMNAKLK7MAPT
SCHEMBL6462915 0.95 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ELMNAKLK7MAPT
Trifluoroacetic Acid SCHEMBL6460104 0.82 MCHR1 (0.60) SMN1; SMN2KDM4ELMNAMAPTRXFP1
Trifluoroacetic Acid SCHEMBL5518596 0.82 MCHR1 (0.64) ADRA2AMCHR1
Trifluoroacetic Acid SCHEMBL6460864 0.79 LMNA (0.54) SMN1; SMN2KDM4ELMNAMAPTRXFP1
Trifluoroacetic Acid SCHEMBL6461567 0.79 CNR1 (0.46) SMN1; SMN2KDM4ELMNAADRA2AMCHR1
Trifluoroacetic Acid SCHEMBL6456845 0.79 PDE10A (0.43) SMN1; SMN2KDM4ELMNARAB9A
Trifluoroacetic Acid SCHEMBL6464243 0.78 ADRA2A (0.61) SMN1; SMN2KDM4ELMNAADRA2AMCHR1
Trifluoroacetic Acid SCHEMBL6462476 0.78 MCHR1 (0.61) SMN1; SMN2KDM4ELMNAADRA2AMCHR1
Trifluoroacetic Acid SCHEMBL7133704 0.78 ADRA2A (0.61) SMN1; SMN2KDM4ELMNAADRA2AMCHR1

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