Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3684585

Cc1ccc(CCc2ccc(S(=O)(=O)N[C@H](CC(=O)O)C[N+](C)(C)C)s2)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.38
ITGA2B P08514 1/20 0.38
ALDH1A1 P00352 5/20 0.36
ITGB1 P05556 1/20 0.35
ITGAV P06756 1/20 0.35
ITGA5 P08648 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 4/20 0.34
MMP2 P08253 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
EEF2K O00418 1/20 0.31
ATM Q13315 1/20 0.31

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 SCHEMBL3684591 1.00 ITGB3 (0.38) ITGB3ITGA2BALDH1A1ITGB1ITGAV
Trifluoroacetic Acid SCHEMBL3689887 0.93 EEF2K (0.35) ALDH1A1HTTSMN1; SMN2LMNAMAPT
Trifluoroacetic Acid SCHEMBL3689890 0.93 EEF2K (0.35) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL13409999 0.93 SMN1; SMN2 (0.39) ITGB3ITGA2BALDH1A1ITGB1ITGAV
Trifluoroacetic Acid SCHEMBL3682804 0.91 MMP2 (0.40) MMP9MMP2
Trifluoroacetic Acid SCHEMBL3682809 0.91 MMP2 (0.40) MMP9MMP2
Trifluoroacetic Acid SCHEMBL3679528 0.90 AKR1C3 (0.35) ITGB3ITGA2BALDH1A1HTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3679525 0.90 AKR1C3 (0.35) ITGB3ITGA2BALDH1A1HTTSMN1; SMN2
SCHEMBL3684588 0.85 HTT (0.33) ALDH1A1HTTSMN1; SMN2LMNAMAPT
SCHEMBL13409995 0.85 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2LMNAMAPT

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-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

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 ITGB3 4768/4885ITGA2B 4629/4885ALDH1A1 236/4885

“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.