Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3754067

COc1ccc(S(=O)(=O)n2cc(C(=O)N(C)C3CCN(C)CC3)c3cc(F)ccc32)c2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.51
KCNH2 Q12809 1/20 0.43
SMO Q99835 3/20 0.42
ALDH1A1 P00352 1/20 0.42

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 SCHEMBL3759250 0.93 HTR6 (0.49) HTR6SMOALDH1A1
Trifluoroacetic Acid SCHEMBL3754269 0.93 HTR6 (0.49) HTR6KCNH2SMOALDH1A1
SCHEMBL5035284 0.88 HTR6 (0.53) HTR6ALDH1A1
SCHEMBL3746693 0.87 HTR6 (0.58) HTR6ALDH1A1
Trifluoroacetic Acid SCHEMBL3753593 0.85 HTR6 (0.49) HTR6SMOALDH1A1
Trifluoroacetic Acid SCHEMBL3748726 0.79 HTR6 (0.39) HTR6KCNH2SMO
Trifluoroacetic Acid SCHEMBL3755402 0.78 AVPR1B (0.53) HTR6KCNH2ALDH1A1
Trifluoroacetic Acid SCHEMBL3761902 0.75 HTR6 (0.40) HTR6
Trifluoroacetic Acid SCHEMBL3750891 0.74 HTR6 (0.50) HTR6ALDH1A1
SCHEMBL3759249 0.72 ALDH1A1 (0.45) HTR6ALDH1A1

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 12/4885KCNH2 718/4885SMO 2342/4885

“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.