SCHEMBL3755361

SCHEMBL3755361

COc1ccc2c(c1)C(C(=O)O)CN2S(=O)(=O)c1c(C)cc(OC)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.54
EPHX2 P34913 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
AVPR1B P47901 1/20 0.36
LMNA P02545 1/20 0.35
CPT2 P23786 3/20 0.34
CPT1A P50416 3/20 0.34
CPT1B Q92523 3/20 0.34
NMT1 P30419 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
SCHEMBL3754257 0.88 HTR6 (0.68) HTR6EPHX2AVPR1B
SCHEMBL3751473 0.82 HTR6 (0.82) HTR6
SCHEMBL3746678 0.71 HTR6 (1.00) HTR6AVPR1B
SCHEMBL3750919 0.70 HTR6 (0.67) HTR6MEN1KMT2AALDH1A1AVPR1B
SCHEMBL3757147 0.67 PDE4A (0.55) HTR6LMNA
SCHEMBL14606805 0.65 HTR6 (0.49) HTR6MEN1KMT2AALDH1A1POLB
SCHEMBL13947280 0.64 HTR6 (0.58) HTR6ALDH1A1POLBCYP3A4CYP2C9
SCHEMBL12827783 0.64 MAPT (0.42) HTR6MEN1KMT2AALDH1A1POLB
SCHEMBL3744515 0.64 HTR6 (0.74) HTR6ALDH1A1AVPR1B
SCHEMBL13368608 0.64 HTR6 (0.70) HTR6MEN1KMT2AALDH1A1POLB

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 12/4885EPHX2 4625/4885MEN1 2445/4885

“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.