Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3687520

CCCCCc1ccc(C#Cc2ccc(C(=O)NC(CC(=O)O)C[N+](C)(C)C)o2)cc1.O=C([O-])C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.37
S1PR1 P21453 3/20 0.37
S1PR4 O95977 2/20 0.36
S1PR3 Q99500 2/20 0.36
CPT2 P23786 3/20 0.34
CPT1A P50416 3/20 0.34
CPT1B Q92523 3/20 0.34
FAAH O00519 1/20 0.34
ACACB O00763 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 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 SCHEMBL3687516 1.00 S1PR2 (0.37) S1PR2S1PR1S1PR4S1PR3CPT2
SCHEMBL13410033 0.93 S1PR1 (0.42) S1PR2S1PR1S1PR4S1PR3ACACB
SCHEMBL3686893 0.89 CPT2 (0.45) CPT2CPT1ACPT1B
SCHEMBL3686891 0.89 CPT2 (0.45) CPT2CPT1ACPT1B
Trifluoroacetic Acid SCHEMBL3685224 0.87 CPT2 (0.34) S1PR2S1PR1S1PR4S1PR3CPT2
Trifluoroacetic Acid SCHEMBL3685221 0.87 CPT2 (0.34) S1PR2S1PR1S1PR4S1PR3CPT2
SCHEMBL3687517 0.86 ACACB (0.35) S1PR1S1PR4S1PR3CPT2CPT1A
Trifluoroacetic Acid SCHEMBL3682670 0.85 S1PR1 (0.40) S1PR2S1PR1S1PR4S1PR3CPT2
Trifluoroacetic Acid SCHEMBL3682673 0.85 S1PR1 (0.40) S1PR2S1PR1S1PR4S1PR3CPT2
Trifluoroacetic Acid SCHEMBL3683485 0.84 MMP2 (0.41) S1PR2S1PR1S1PR4S1PR3CPT2

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 S1PR2 413/4885S1PR1 400/4885S1PR4 684/4885

“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.