Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL341583

Cc1cc(Nc2nccs2)nc(N2C[C@@H](C(=O)O)C[C@@H](C3CCCCC3)C2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SYK P43405 3/20 0.38
RBP4 P02753 5/20 0.37
HCRTR1 O43613 4/20 0.37
HCRTR2 O43614 4/20 0.37
ADORA2A P29274 2/20 0.36
PPARG P37231 1/20 0.35
USP2 O75604 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.34
AURKA O14965 2/20 0.34
AURKB Q96GD4 2/20 0.34
INCENP Q9NQS7 2/20 0.34
TSHR P16473 1/20 0.34

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 SCHEMBL341581 1.00 HSD17B10 (0.39) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL343317 0.95 KDM4E (0.43) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL343315 0.95 KDM4E (0.43) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL343316 0.95 KDM4E (0.43) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL341582 0.88 ADORA2A (0.37) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL343006 0.87 ADORA2A (0.41) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL343007 0.87 ADORA2A (0.41) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL343008 0.87 ADORA2A (0.41) HSD17B10KDM4EMEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL342780 0.86 HSD17B10 (0.38) HSD17B10KDM4EMEN1ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL342782 0.86 HSD17B10 (0.38) HSD17B10KDM4EMEN1ALDH1A1KMT2A

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 HSD17B10 1328/4885KDM4E 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.