Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3355836

N#Cc1ccc2ccc(=O)n(CCN3CC[C@H](N)[C@H](F)C3)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.52
SCN7A Q01118 3/20 0.41
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
KDM2B Q8NHM5 2/20 0.37
PAX8 Q06710 1/20 0.36

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
SCHEMBL4441211 0.93 KCNH2 (0.57) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3355824 0.93 KCNH2 (0.57) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3353433 0.93 KCNH2 (0.57) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3355195 0.93 KCNH2 (0.57) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3353649 0.83 KCNH2 (0.51) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3351436 0.83 KCNH2 (0.51) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3359340 0.83 KCNH2 (0.62) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3355445 0.83 KCNH2 (0.62) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL3359338 0.83 KCNH2 (0.62) KCNH2SCN7ASCN5ASCN2ASCN8A
SCHEMBL708277 0.80 KCNH2 (0.59) KCNH2SCN7ASCN5ASCN2ASCN8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-06-10 US 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-20100144717-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 KCNH2 466/4885SCN7A 538/4885DPP4 1434/4885

“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.