Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL978408

CCCCCCCCc1ccc(NS(=O)(=O)N(C)C2(CC(=O)O)CCC[N+](C)(C)C2)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.39
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ IRS1 P35568 1/20 0.35
▸ GAB1 Q13480 1/20 0.35
▸ ACLY P53396 1/20 0.34
▸ S1PR1 P21453 8/20 0.33
▸ SPHK1 Q9NYA1 5/20 0.33
▸ THRA P10827 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ S1PR4 O95977 7/20 0.33
▸ S1PR5 Q9H228 6/20 0.33
▸ S1PR3 Q99500 5/20 0.33
▸ S1PR2 O95136 1/20 0.33

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 SCHEMBL978194 0.82 CA12 (0.36) CA12CA1CA2CA9FAAH
Trifluoroacetic Acid SCHEMBL978407 0.79 FAAH (0.35) CA12CA1CA2CA9FAAH
Trifluoroacetic Acid SCHEMBL978909 0.77 S1PR1 (0.43) HPGDCA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL978924 0.77 AKT1 (0.39) CA12CA1CA2CA9FAAH
Trifluoroacetic Acid SCHEMBL982583 0.77 CA12 (0.38) CA12CA1CA2CA9FAAH
SCHEMBL12923338 0.74 S1PR1 (0.39) HPGDCA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL977607 0.73 S1PR1 (0.45) HPGDCA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL981129 0.73 AKT1 (0.40) CA12CA1CA2CA9FAAH
Trifluoroacetic Acid SCHEMBL3943531 0.71 EPHX1 (0.45) HPGDCA12CA1CA2CA9
SCHEMBL13942848 0.71 KDM4E (0.37) CA12CA1CA2CA9AKT1

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-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — US disclosed
WO-2009015485-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-02-05 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 HPGD 662/4885CA12 1566/4885CA1 1189/4885

“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.

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