Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3683115

C[N+](C)(C)C[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(-c2ccccn2)s1.O=C([O-])C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
MMP13 P45452 1/20 0.44
PFKFB3 Q16875 1/20 0.44
CAPN1 P07384 8/20 0.42
F2 P00734 1/20 0.41
MMP8 P22894 2/20 0.37
MMP3 P08254 1/20 0.37
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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 SCHEMBL3683119 1.00 RXFP1 (0.46) RXFP1MMP13PFKFB3CAPN1F2
Trifluoroacetic Acid SCHEMBL3686963 0.94 RXFP1 (0.47) RXFP1MMP13PFKFB3CAPN1F2
SCHEMBL13409939 0.92 PFKFB3 (0.50) RXFP1MMP13PFKFB3CAPN1F2
SCHEMBL3683117 0.85 RXFP1 (0.45) RXFP1MMP13PFKFB3CAPN1F2
Trifluoroacetic Acid SCHEMBL3679932 0.85 PRF1 (0.34) MMP13MMP8
Trifluoroacetic Acid SCHEMBL3679938 0.85 PRF1 (0.34) MMP13MMP8
SCHEMBL14822899 0.82 PFKFB3 (0.52) RXFP1MMP13PFKFB3CAPN1F2
Trifluoroacetic Acid SCHEMBL3690765 0.81 MMP2 (0.47) MMP13MMP8MMP3
Trifluoroacetic Acid SCHEMBL3690770 0.81 MMP2 (0.47) MMP13MMP8MMP3
Trifluoroacetic Acid SCHEMBL3689890 0.81 EEF2K (0.35) MMP13MMP8ALDH1A1

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 3 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
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 RXFP1 4529/4885MMP13 1256/4885PFKFB3 1127/4885

“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.