SCHEMBL3247497

SCHEMBL3247497

CC(=O)S(=O)(=O)Cc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
NQO2 P16083 1/20 0.47
CA2 P00918 1/20 0.46
ACP3 P15309 1/20 0.46
MTNR1A P48039 2/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
ATM Q13315 1/20 0.44
CTNNB1 P35222 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2C9 P11712 1/20 0.43

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 0.83 NQO2 (0.53) TDP1NQO2CA2ACP3MTNR1A
SCHEMBL5609920 0.80 NQO2 (0.49) TDP1NQO2CA2MTNR1A
SCHEMBL40373 0.80 TDP1 (0.55) TDP1NQO2CA2ACP3MTNR1A
SCHEMBL3245793 0.78 NQO2 (0.57) TDP1NQO2CA2ACP3MTNR1A
Ammonia Solution, Strong SCHEMBL10719436 0.78 TDP1 (0.53) TDP1NQO2CA2ACP3MTNR1A
Naphthalene SCHEMBL9470169 0.78 TDP1 (0.53) TDP1NQO2CA2ACP3MTNR1A
SCHEMBL30532459 0.78 TDP1 (0.53) TDP1NQO2CA2ACP3MTNR1A
SCHEMBL8109577 0.77 CA2 (0.55) TDP1NQO2CA2ACP3MTNR1A
SCHEMBL295141 0.76 CA2 (0.53) TDP1NQO2CA2ACP3MTNR1A
SCHEMBL3268393 0.75 TDP1 (0.59) TDP1NQO2CA2ACP3MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
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-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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 (5 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 TDP1 4444/4885NQO2 876/4885CA2 217/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TDP1 4444/4885NQO2 876/4885CA2 217/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TDP1 4798/4885NQO2 3001/4885CA2 1808/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TDP1 4798/4885NQO2 3001/4885CA2 1808/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 TDP1 2743/4885NQO2 731/4885CA2 1149/4885

“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.