Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3787608

O=C(O)C(F)(F)F.O=C(O)C1(CCc2ccccn2)CCCC1S

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 1/20 0.38
GPR6 P46095 1/20 0.37
RECQL P46063 1/20 0.37
HTR5A P47898 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3787614 0.84 HPGD (0.36) HPGDMEN1KMT2AHSD11B1RECQL
SCHEMBL1043392 0.80 HSD11B1 (0.43) HPGDMEN1KMT2AHSD11B1RECQL
Trifluoroacetic Acid SCHEMBL3782192 0.72 CPB2 (0.38) CPB2L3MBTL1CYP1A2
Trifluoroacetic Acid SCHEMBL3783935 0.71 CPB2 (0.41) CPB2
Trifluoroacetic Acid SCHEMBL3781605 0.71 CPB2 (0.41) CPB2
Trifluoroacetic Acid SCHEMBL3782819 0.71 CPB2 (0.41) CPB2
Trifluoroacetic Acid SCHEMBL18497616 0.69 MEN1 (0.43) HPGDMEN1KMT2AHSD11B1HTR5A
Trifluoroacetic Acid SCHEMBL3783956 0.69 HTR5A (0.38) HTR5A
Trifluoroacetic Acid SCHEMBL3716650 0.69 HRH1 (0.68) CPB2HPGDTSHRL3MBTL1HTT
SCHEMBL3787665 0.69 KCNA5 (0.42) HPGDHSD11B1TSHRCYP1A2CYP2C19

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-8309341-B2 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them Les Laboratories Server (FR) 2012-11-13 US disclosed
US-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2010-12-30 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-20100330064-A1 2-mercaptocyclopentanecarboxylic acid compounds, a process for their preparation and pharmaceutical compositions containing them CYP2B6, CYP2A6, MC5R CPB2 1603/4885HPGD 1089/4885MEN1 2378/4885

“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.