Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL342332

Cc1cc(Nc2ncc(C#N)s2)nc(N2C[C@@H](C(=O)O)C[C@@H](C3CCCCC3)C2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.40
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SYK P43405 3/20 0.36
RBP4 P02753 3/20 0.34
PPARG P37231 1/20 0.33

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 SCHEMBL342330 1.00 KDR (0.40) KDRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL342884 0.95 KDR (0.43) KDRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL342883 0.95 KDR (0.43) KDRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL342882 0.95 KDR (0.43) KDRKDM4EMEN1ALDH1A1KMT2A
SCHEMBL342331 0.89 KDR (0.38) KDRSYKRBP4
Trifluoroacetic Acid SCHEMBL342780 0.89 HSD17B10 (0.38) KDM4EMEN1ALDH1A1KMT2AHSD17B10
Trifluoroacetic Acid SCHEMBL342782 0.89 HSD17B10 (0.38) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL343079 0.88 KDR (0.42) KDRHSD17B10
SCHEMBL343078 0.88 KDR (0.42) KDRHSD17B10
SCHEMBL343077 0.88 KDR (0.42) KDRHSD17B10

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 KDR 982/4885KDM4E 621/4885MEN1 1574/4885

“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.