Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3748726

CN1CCC(N(C)C(=O)c2cn(S(=O)(=O)c3ccc(Br)s3)c3ccc(F)cc23)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.39
HTR3A P46098 5/20 0.38
BRD4 O60885 1/20 0.37
TAF1 P21675 1/20 0.37
CECR2 Q9BXF3 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KCNH2 Q12809 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMO Q99835 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
Trifluoroacetic Acid SCHEMBL3761902 0.91 HTR6 (0.40) HTR6BRD4TAF1CECR2MAPT
Trifluoroacetic Acid SCHEMBL3749336 0.82 HTR6 (0.39) HTR6BRD4TAF1CECR2MAPT
Trifluoroacetic Acid SCHEMBL3754067 0.79 HTR6 (0.51) HTR6KCNH2SMO
Trifluoroacetic Acid SCHEMBL3752555 0.78 HTR6 (0.45) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3750563 0.75 HTR6 (0.38) HTR6MAPTHTT
SCHEMBL3752558 0.73 HTR6 (0.37) HTR6MAPTCYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3754269 0.72 HTR6 (0.49) HTR6BRD4TAF1CECR2MAPT
Trifluoroacetic Acid SCHEMBL3759250 0.72 HTR6 (0.49) HTR6CYP3A4CYP2D6SMO
Trifluoroacetic Acid SCHEMBL3749084 0.71 HTR6 (0.66) HTR6MAPTHTT
Trifluoroacetic Acid SCHEMBL3744507 0.71 HTR6 (0.39) HTR6KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D HTR6 12/4885HTR3A 5/4885BRD4 418/4885

“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.