Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1374790

Cc1cc(F)ccc1C[C@H]1CN[C@H](C(=O)O)C1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
GRIK1 P39086 2/20 0.36
ARG1 P05089 1/20 0.36
KDM1A O60341 1/20 0.35
GPR6 P46095 6/20 0.35
MASP2 O00187 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHIT1 Q13231 1/20 0.34

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
SCHEMBL1374792 0.84 F2 (0.35) F2MASP2HRH3
Trifluoroacetic Acid SCHEMBL1371687 0.82 F2 (0.38) F2GPR6MASP2CHIT1
SCHEMBL6277439 0.79 ARG1 (0.41) GRIK1ARG1HRH3
SCHEMBL1814892 0.79 ARG1 (0.41) GRIK1ARG1HRH3
SCHEMBL29351610 0.76 GRIK1 (0.51) F2GRIK1ARG1MASP2HRH3
SCHEMBL2170540 0.74 F2 (0.41) F2
SCHEMBL1372386 0.74 F2 (0.41) F2
SCHEMBL11234759 0.73 HRH3 (0.55) F2GRIK1ARG1MASP2HRH3
SCHEMBL31080928 0.73 HRH3 (0.55) F2GRIK1ARG1MASP2HRH3
SCHEMBL31524208 0.73 HRH3 (0.55) F2GRIK1ARG1MASP2HRH3

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-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 F2 4544/4885GRIK1 471/4885ARG1 3976/4885

“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.