Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL978407

CCCCCCCCc1ccc(N(C)S(=O)(=O)NC2(CC(=O)O)CCC[N+](C)(C)C2)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ S1PR1 P21453 4/20 0.33
▸ S1PR3 Q99500 4/20 0.33
▸ S1PR2 O95136 3/20 0.33
▸ S1PR4 O95977 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ IRS1 P35568 1/20 0.33
▸ GAB1 Q13480 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ SPHK1 Q9NYA1 6/20 0.31
▸ CCR5 P51681 2/20 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
SCHEMBL13942848 0.93 KDM4E (0.37) KDM4ENPC1GALR3RAB9ACA12
Trifluoroacetic Acid SCHEMBL978924 0.87 AKT1 (0.39) FAAHCA12CA1CA2CA9
SCHEMBL978409 0.87 FAAH (0.34) FAAHKDM4ENPC1GALR3RAB9A
Trifluoroacetic Acid SCHEMBL978194 0.85 CA12 (0.36) FAAHCA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL981129 0.81 AKT1 (0.40) FAAHCA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL978909 0.80 S1PR1 (0.43) FAAHNPC1RAB9ACA12CA1
SCHEMBL12923323 0.80 AKT1 (0.43) KDM4ECA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL978408 0.79 HPGD (0.39) FAAHCA12CA1CA2CA9
SCHEMBL12923338 0.78 S1PR1 (0.39) KDM4ECA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL1081759 0.78 AKT1 (0.41) FAAHCA12CA1CA2CA9

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-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

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 FAAH 928/4885KDM4E 1974/4885NPC1 85/4885

“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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