SCHEMBL5609867

SCHEMBL5609867

COC([S])c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
AOC3 Q16853 1/20 0.50
ADRA2A P08913 5/20 0.46
ADRA2B P18089 5/20 0.46
ADRA2C P18825 5/20 0.46
SLC6A4 P31645 2/20 0.44
MAPT P10636 1/20 0.42
CYP2A6 P11509 1/20 0.40
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL31127390 0.83 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL2524557 0.83 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL16974437 0.79 ADRA2A (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL9066103 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL10416031 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL129524 0.77 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL10815293 0.76 CYP1A2 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL20957507 0.76 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL5608955 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL5609877 0.76 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3

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 ALDH1A1 28/4885CYP1A2 297/4885CYP2C9 690/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885CYP1A2 297/4885CYP2C9 690/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885CYP1A2 4073/4885CYP2C9 4681/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885CYP1A2 4073/4885CYP2C9 4681/4885

“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.