Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4596431

N[C@@H]1COc2cc(-c3ccc(C(F)(F)F)cc3)ccc2NC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
TDP2 O95551 1/20 0.36
FFAR1 O14842 1/20 0.35
LTB4R Q15722 4/20 0.35
LTB4R2 Q9NPC1 4/20 0.35
DHODH Q02127 1/20 0.34
P2RY14 Q15391 2/20 0.34
CA9 Q16790 1/20 0.34
HDAC2 Q92769 1/20 0.34
KDM1A O60341 1/20 0.34
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
BRD4 O60885 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 SCHEMBL4595122 1.00 KIF11 (0.42) KIF11DPP4DPP8DPP7TDP2
SCHEMBL4596423 0.93 KIF11 (0.47) KIF11TDP2CA9BRD4
SCHEMBL14154359 0.93 KIF11 (0.47) KIF11TDP2CA9BRD4
Trifluoroacetic Acid SCHEMBL17332759 0.91 KIF11 (0.38) KIF11FFAR1KDM1ABRD4
Trifluoroacetic Acid SCHEMBL15565162 0.84 NR3C1 (0.39) FFAR1
SCHEMBL15565139 0.84 KIF11 (0.43) KIF11TDP2BRD4
Trifluoroacetic Acid SCHEMBL15565133 0.82 KMT2A (0.39) KDM1A
Trifluoroacetic Acid SCHEMBL4890663 0.79 KIF11 (0.43) KIF11DPP4DPP8DPP7TDP2
Trifluoroacetic Acid SCHEMBL4899626 0.79 KIF11 (0.43) KIF11DPP4DPP8DPP7TDP2
Trifluoroacetic Acid SCHEMBL4803583 0.79 RIPK1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885DPP4 4690/4885DPP8 4047/4885

“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.