SCHEMBL4527757

SCHEMBL4527757

COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c2c1C[C@@H](N)CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
HPGD P15428 2/20 0.43
THRB P10828 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
LMNA P02545 6/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
GHSR Q92847 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
CCNA1 P78396 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40

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
SCHEMBL4522821 0.91 THRB (0.55) HPGDTHRBSMN1; SMN2SLC22A12LMNA
SCHEMBL4519898 0.89 TP53 (0.44) HTR6LMNAALDH1A1HTTMEN1
SCHEMBL4516192 0.88 TP53 (0.51) HTR6SMN1; SMN2ALDH1A1PKMHSD11B1
SCHEMBL4509228 0.87 HTR6 (0.44) HTR6HPGDTHRBSMN1; SMN2SLC22A12
SCHEMBL4523370 0.84 CA12 (0.43) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL4510226 0.84 MALT1 (0.42) HTR6HPGDTHRBSMN1; SMN2SLC22A12
SCHEMBL4522539 0.83 HTR6 (0.56) HTR6LMNAALDH1A1MAPTMEN1
SCHEMBL4520216 0.82 MEN1 (0.48) SMN1; SMN2LMNAALDH1A1MAPTHTT
SCHEMBL4518506 0.82 HTR6 (0.52) HTR6HPGDTHRBSMN1; SMN2SLC22A12
SCHEMBL4963653 0.82 HTR6 (0.52) HTR6HPGDTHRBSMN1; SMN2SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US claimed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP claimed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 WO claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
EP-1841755-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2007-10-10 EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO disclosed
WO-2006070001-A1 SUBSTITUTED INDOLE LIGANDS FOR THE ORL-1 RECEPTOR BRANE DISCOVERY S.R.L. (IT) 2006-07-06 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 (2 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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 HTR6 140/4885HPGD 3192/4885THRB 157/4885
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A HTR6 1/4885HPGD 2286/4885THRB 485/4885

“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.