Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL722169

O=C(O)C(F)(F)F.O=c1ccc2cc3c(cc2[nH]1)CCNCC3

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
KDM1A O60341 10/20 0.38
KIF11 P52732 1/20 0.38
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
F11 P03951 1/20 0.36
MAPK1 P28482 1/20 0.35
ADCY6 O43306 1/20 0.34
ADCY3 O60266 1/20 0.34
ADCY9 O60503 1/20 0.34
ADCY5 O95622 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
SCHEMBL718661 0.87 CA12 (0.46) ARKIF11CA12CA9CA1
SCHEMBL719752 0.77 ESR1 (0.48) ARKIF11MAPK1
Trifluoroacetic Acid SCHEMBL30355108 0.76 HTR3E (0.44) AR
Trifluoroacetic Acid SCHEMBL30355115 0.76 TLR9 (0.44)
Trifluoroacetic Acid SCHEMBL720041 0.76 SMYD3 (0.42) ARKDM1AADCY6ADCY3ADCY9
SCHEMBL13849654 0.74 GRIN2D (0.53) ARKIF11CA12CA9CA1
SCHEMBL13849655 0.74 CA12 (0.48) ARKIF11CA12CA9CA1
Trifluoroacetic Acid SCHEMBL18044723 0.73 KDM1A (0.37) KDM1A
Trifluoroacetic Acid SCHEMBL22091026 0.73 CA12 (0.69) ARKDM1AKIF11CA12CA9
Trifluoroacetic Acid SCHEMBL30219350 0.73 CA12 (0.69) ARKDM1AKIF11CA12CA9

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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 AR 1999/4885KDM1A 2596/4885KIF11 2501/4885

“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.