Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL341448

Cc1cc(Nc2ccn[nH]2)nc(N2CCC[C@H](C(=O)O)C2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.57
HSD17B10 Q99714 5/20 0.57
ALDH1A1 P00352 5/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
IDH2 P48735 1/20 0.47
GAA P10253 2/20 0.46
TSHR P16473 4/20 0.45
POLB P06746 2/20 0.44
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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 SCHEMBL342591 1.00 KDM4E (0.57) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL473587 0.95 KDM4E (0.64) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL342230 0.87 NAPEPLD (0.42) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL342592 0.87 KDM4E (0.45) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL341449 0.87 KDM4E (0.45) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL343084 0.86 AURKA (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL343086 0.86 AURKA (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL342171 0.83 AURKA (0.40) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL474405 0.83 AURKA (0.40) KDM4EHSD17B10ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL342173 0.83 AURKA (0.40) KDM4EHSD17B10ALDH1A1MEN1KMT2A

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-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB KDM4E 621/4885HSD17B10 1328/4885ALDH1A1 1614/4885

“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.