Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3753593

COc1ccc(S(=O)(=O)n2cc(C(=O)N(C)C3CCN(C)CC3)c3cccc(Br)c32)c2ccccc12.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.49
ALDH1A1 P00352 3/20 0.42
SMO Q99835 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.35
BRD4 O60885 1/20 0.35
TAF1 P21675 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
FABP4 P15090 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 SCHEMBL3754067 0.85 HTR6 (0.51) HTR6ALDH1A1SMO
Trifluoroacetic Acid SCHEMBL3759250 0.84 HTR6 (0.49) HTR6ALDH1A1SMOHTR2A
Trifluoroacetic Acid SCHEMBL3754269 0.84 HTR6 (0.49) HTR6ALDH1A1SMOTSHRKDM4E
SCHEMBL3746693 0.82 HTR6 (0.58) HTR6ALDH1A1TSHRKDM4EMEN1
SCHEMBL5035284 0.78 HTR6 (0.53) HTR6ALDH1A1HTR2A
Trifluoroacetic Acid SCHEMBL3749336 0.74 HTR6 (0.39) HTR6ALDH1A1TSHRHTTKMT2A
Trifluoroacetic Acid SCHEMBL3750891 0.72 HTR6 (0.50) HTR6ALDH1A1TSHRKDM4EMEN1
Trifluoroacetic Acid SCHEMBL3761902 0.69 HTR6 (0.40) HTR6SMN1; SMN2BRD4TAF1CECR2
SCHEMBL3750896 0.69 HTR6 (0.49) HTR6ALDH1A1TSHRKDM4EMEN1
SCHEMBL3749236 0.66 HTR6 (1.00) HTR6

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 5 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
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 WO 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 12/4885ALDH1A1 1048/4885SMO 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.