Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3690901

CCCCCCCCCCc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C[N+](C)(C)C)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 5/20 0.46
S1PR1 P21453 5/20 0.46
S1PR3 Q99500 4/20 0.44
S1PR4 O95977 3/20 0.44
AKT1 P31749 2/20 0.43
IRS1 P35568 1/20 0.43
GAB1 Q13480 1/20 0.43
FAAH O00519 1/20 0.43
HAO1 Q9UJM8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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 SCHEMBL3691241 0.99 S1PR2 (0.44) S1PR2S1PR1S1PR3S1PR4AKT1
Trifluoroacetic Acid SCHEMBL3691236 0.94 NPSR1 (0.46) S1PR2S1PR1S1PR3S1PR4AKT1
SCHEMBL13409989 0.93 S1PR2 (0.52) S1PR2S1PR1S1PR3S1PR4AKT1
SCHEMBL13409941 0.92 S1PR2 (0.50) S1PR2S1PR1S1PR3S1PR4AKT1
Trifluoroacetic Acid SCHEMBL3682804 0.86 MMP2 (0.40) S1PR2S1PR1S1PR3S1PR4AKT1
Trifluoroacetic Acid SCHEMBL3682809 0.86 MMP2 (0.40) S1PR2S1PR1S1PR3S1PR4AKT1
SCHEMBL3690902 0.84 FAAH (0.41) S1PR1S1PR3S1PR4AKT1IRS1
Trifluoroacetic Acid SCHEMBL3679726 0.84 MMP9 (0.57)
Trifluoroacetic Acid SCHEMBL3679731 0.84 MMP9 (0.57)
SCHEMBL3691243 0.83 FAAH (0.40) S1PR1S1PR3S1PR4AKT1IRS1

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 S1PR2 413/4885S1PR1 400/4885S1PR3 493/4885

“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.