SCHEMBL949392

SCHEMBL949392

Cc1ccc(S(=O)(=O)n2cc([C@H](C)O)c3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
UBE2N P61088 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
CYP19A1 P11511 2/20 0.57
HTR6 P50406 6/20 0.56
ALOX5 P09917 4/20 0.53
ALK Q9UM73 1/20 0.53
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
KLK7 P49862 2/20 0.51
PTGS2 P35354 1/20 0.51
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.47

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
SCHEMBL949391 1.00 KDM4E (0.61) KDM4EUBE2NL3MBTL1CYP19A1HTR6
SCHEMBL13302219 0.90 KDM4E (0.63) KDM4EUBE2NL3MBTL1CYP19A1HTR6
SCHEMBL946541 0.90 LMNA (0.59) L3MBTL1CYP19A1HTR6CA2CA9
SCHEMBL946542 0.90 LMNA (0.59) L3MBTL1CYP19A1HTR6CA2CA9
SCHEMBL4009273 0.89 KDM4E (0.64) KDM4EUBE2NL3MBTL1CYP19A1HTR6
SCHEMBL949829 0.88 HTR6 (0.59) KDM4EUBE2NL3MBTL1CYP19A1HTR6
SCHEMBL949830 0.88 HTR6 (0.59) KDM4EUBE2NL3MBTL1CYP19A1HTR6
SCHEMBL947557 0.86 KDM4E (0.61) KDM4EUBE2NL3MBTL1CYP19A1HTR6
SCHEMBL947555 0.86 KDM4E (0.61) KDM4EUBE2NL3MBTL1CYP19A1HTR6
SCHEMBL947467 0.86 HTR6 (0.59) HTR6CA2CA9LMNASMN1; 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-7875605-B2 1-Benzenesulfonyl-3-(4-methylpiperazin-1-ylmethyl)-5-nitro-1 H-indole; 1-[[5-Bromo-1-(2-Bromo-4-methoxybenzenesulfonyl)-indo1-3-yl]methyl][1,4]diazepane; useful for treating psychotic and neurodegenerative disorders e.g. schizophrenia, Alzheimer's disease, Parkinson's disease and Huntington's chorea SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-25 US disclosed
EP-1581492-B1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LTD (IN) 2008-07-16 EP disclosed
US-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them SUVEN LIFE SCIENCES LIMITED (IN) 2006-10-05 US disclosed
EP-1581492-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM Suven Life Sciences Limited (IN) 2005-10-05 EP disclosed
WO-2004048330-A1 N-ARYLSULFONYL-3-SUBSTITUTED INDOLES HAVING SEROTONIN RECEPTOR AFFINITY, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 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-20060223890-A1 N-arylsulfonyl-3-substituted indoles having serotonin receptor affinity, process for their preparation and pharmaceutical composition containing them HTR3A, HTR3C, HTR2C KDM4E 3995/4885UBE2N 1597/4885L3MBTL1 4865/4885

“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.