SCHEMBL3742287

SCHEMBL3742287

COc1ccc(S(=O)(=O)N2CC(CC(=O)O)c3ccccc32)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.62
KCNH2 Q12809 1/20 0.57
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL3753998 0.88 HTR6 (0.58) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL3749366 0.85 HTR6 (0.73) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL3744515 0.84 HTR6 (0.74) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL3754751 0.82 HTR6 (0.75) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL3753597 0.80 HTR6 (0.66) HTR6KCNH2ALDH1A1
SCHEMBL3761881 0.76 HTR6 (0.81) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL3744502 0.76 HTR6 (0.51) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL3742336 0.75 HTR6 (1.00) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2
SCHEMBL3755400 0.75 HTR6 (0.69) HTR6KCNH2ALDH1A1TSHRKDM4E
Trifluoroacetic Acid SCHEMBL3754757 0.74 HTR6 (0.89) HTR6KCNH2ALDH1A1TSHRSMN1; SMN2

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 12/4885KCNH2 718/4885ALDH1A1 1048/4885

“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.