SCHEMBL950269

SCHEMBL950269

O=S(=O)(c1ccc(Br)cc1)C(O)c1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.49
GAA P10253 4/20 0.49
SI P14410 4/20 0.49
MGAM2 Q2M2H8 4/20 0.49
MMP2 P08253 3/20 0.42
MMP9 P14780 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
STING1 Q86WV6 1/20 0.42
GPR84 Q9NQS5 3/20 0.42
FFAR1 O14842 2/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 1/20 0.41
NOD2 Q9HC29 1/20 0.40
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL949157 0.88 GPR84 (0.49) MGAMGAASIMGAM2MMP2
SCHEMBL946518 0.86 MEN1 (0.52) MGAMGAASIMGAM2MMP2
SCHEMBL947466 0.86 GUSB (0.46) MGAMGAASIMGAM2MMP2
SCHEMBL950566 0.86 MEN1 (0.50) MMP2MMP9HTR2AHTR2CHTR2B
SCHEMBL946391 0.84 SRC (0.48) MGAMGAASIMGAM2GPR84
SCHEMBL947739 0.84 NR3C1 (0.54) MGAMGAASIMGAM2HTR2A
SCHEMBL945682 0.83 NR3C1 (0.55) MGAMGAASIMGAM2MMP2
SCHEMBL950579 0.82 GUSB (0.47) MGAMGAASIMGAM2MMP9
SCHEMBL947649 0.81 MGAM (0.42) MGAMGAASIMGAM2HTR2A
SCHEMBL947424 0.79 GUSB (0.43) MGAMGAASIMGAM2GPR84

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 MGAM 4375/4885GAA 4706/4885SI 508/4885

“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.