Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3678097

CCCCCCCCOC(=O)Nc1ccc(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 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
XBP1 P17861 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX12 P18054 1/20 0.44
ADRB1 P08588 2/20 0.41
ADRB3 P13945 2/20 0.41
ADRB2 P07550 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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 SCHEMBL4749008 1.00 PKM (0.48) PKMKMT2AMEN1LMNAMAPT
SCHEMBL13409983 0.94 PKM (0.54) PKMKMT2AMEN1LMNAMAPT
SCHEMBL4749013 0.87 PKM (0.48) PKMKMT2AMEN1LMNAMAPT
SCHEMBL3678098 0.87 PKM (0.48) PKMKMT2AMEN1LMNAMAPT
Trifluoroacetic Acid SCHEMBL3690901 0.82 S1PR2 (0.46) ALDH1A1NPSR1L3MBTL1S1PR1S1PR3
SCHEMBL3689174 0.82 PKM (0.53) PKMKMT2AMEN1LMNAMAPT
Trifluoroacetic Acid SCHEMBL3691241 0.81 S1PR2 (0.44) LMNAALDH1A1HTTNPSR1SMN1; SMN2
Iodide SCHEMBL3682168 0.81 PKM (0.47) PKMKMT2AMEN1LMNAMAPT
Trifluoroacetic Acid SCHEMBL3691236 0.77 NPSR1 (0.46) ALDH1A1NPSR1L3MBTL1S1PR1S1PR3
SCHEMBL13409989 0.75 S1PR2 (0.52) ALDH1A1NPSR1L3MBTL1S1PR1S1PR3

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 PKM 1133/4885KMT2A 662/4885MEN1 3665/4885

“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.