Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3679707

C[N+](C)(C)C[C@@H](CC(=O)O)NC(=O)c1ccc(CCc2ccsc2)s1.O=C([O-])C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.33
CASP1 P29466 1/20 0.33
CASP2 P42575 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
CASP8 Q14790 1/20 0.33
HDAC4 P56524 3/20 0.31
HDAC6 Q9UBN7 3/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
ITGB3 P05106 2/20 0.31
ITGAV P06756 2/20 0.31
ITGA2B P08514 1/20 0.31
PRSS1 P07477 2/20 0.30
TMPRSS15 P98073 2/20 0.30
FOLR2 P14207 1/20 0.30
FOLR1 P15328 1/20 0.30
CRAT P43155 1/20 0.30

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 SCHEMBL3679711 1.00 CASP3 (0.33) CASP3CASP1CASP2CASP4CASP5
SCHEMBL13410017 0.93 CASP3 (0.34) CASP3CASP1CASP2CASP4CASP5
Trifluoroacetic Acid SCHEMBL3683180 0.85 S1PR1 (0.41) CASP3
SCHEMBL3679709 0.85 HPGD (0.30)
Trifluoroacetic Acid SCHEMBL3683187 0.85 S1PR1 (0.41) CASP3
Trifluoroacetic Acid SCHEMBL3688859 0.84 POLB (0.32) CASP3CRAT
Trifluoroacetic Acid SCHEMBL3688864 0.84 POLB (0.32) CASP3CRAT
SCHEMBL14822937 0.82 TAS1R3 (0.38) CASP3CASP1CASP2CASP4CASP5
SCHEMBL13444028 0.81 CASP3 (0.43) CASP3CASP1CASP2CASP4CASP5
Trifluoroacetic Acid SCHEMBL3679966 0.80 ALDH1A1 (0.36) HDAC4HDAC6HDAC3HDAC1CRAT

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
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 WO claimed
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 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-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 CASP3 2249/4885CASP1 2533/4885CASP2 2900/4885

“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.