SCHEMBL5609920

SCHEMBL5609920

CC(=O)S(=O)(=O)CCCCc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.49
MTNR1A P48039 6/20 0.47
TDP1 Q9NUW8 1/20 0.45
MCL1 Q07820 2/20 0.44
MTNR1B P49286 3/20 0.42
GPR84 Q9NQS5 2/20 0.42
CA2 P00918 1/20 0.41

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
SCHEMBL5610092 0.89 NQO2 (0.53) NQO2MTNR1ATDP1MCL1MTNR1B
SCHEMBL5609654 0.81 NQO2 (0.58) NQO2MTNR1ATDP1MCL1GPR84
SCHEMBL11800503 0.81 NQO2 (0.50) NQO2MTNR1ATDP1MCL1GPR84
SCHEMBL11788148 0.80 NQO2 (0.49) NQO2MTNR1ATDP1MCL1GPR84
SCHEMBL3247497 0.80 TDP1 (0.51) NQO2MTNR1ATDP1CA2
Ammonia Solution, Strong SCHEMBL11668882 0.79 NQO2 (0.48) NQO2MTNR1ATDP1MCL1GPR84
SCHEMBL9800436 0.77 CYP1A2 (0.58) NQO2MTNR1ATDP1MCL1GPR84
SCHEMBL5937268 0.76 NQO2 (0.51) NQO2MTNR1ATDP1MCL1GPR84
SCHEMBL31359145 0.76 NQO2 (0.51) NQO2MTNR1ATDP1MCL1GPR84
Sulfuric Acid SCHEMBL9275748 0.76 NQO2 (0.51) NQO2MTNR1AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (4 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 NQO2 876/4885MTNR1A 886/4885TDP1 4444/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 NQO2 876/4885MTNR1A 886/4885TDP1 4444/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 NQO2 3001/4885MTNR1A 898/4885TDP1 4798/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 NQO2 3001/4885MTNR1A 898/4885TDP1 4798/4885

“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.