Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1056832

O=C(O)C(F)(F)F.O=c1[nH]nc(C2(Cc3cccc(Nc4cc[nH]n4)n3)CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)o1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AURKA O14965 20/20 0.64
AURKB Q96GD4 19/20 0.64
INCENP Q9NQS7 17/20 0.64

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
SCHEMBL12931314 0.94 AURKA (0.54) AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL1053333 0.90 AURKA (0.54) AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL1055761 0.90 AURKA (0.53) AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL1501132 0.89 AURKA (0.81) AURKAAURKBINCENP
SCHEMBL1056825 0.86 AURKA (0.51) AURKAAURKBINCENP
SCHEMBL12931315 0.85 AURKA (0.47) AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL1055248 0.84 AURKA (0.53) AURKAAURKBINCENP
SCHEMBL12931310 0.84 AURKA (0.46) AURKAAURKBINCENP
Trifluoroacetic Acid SCHEMBL1501074 0.83 AURKA (0.81) AURKAAURKBINCENP
SCHEMBL1501051 0.82 AURKA (0.70) AURKAAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254888-B1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION MSD KK (JP) 2014-12-24 EP disclosed
US-8519136-B2 Aminopyridine derivatives having aurora a selective inhibitory action MSD K.K. (JP) 2013-08-27 US disclosed
US-20110003833-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-01-06 US disclosed
EP-2254888-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-01 EP disclosed
WO-2009104802-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-27 WO 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-20110003833-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB AURKA 1/4885AURKB 3/4885INCENP 88/4885

“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.