SCHEMBL5609136

SCHEMBL5609136

CC(=O)C(=O)c1nccs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
RBBP9 O75884 5/20 0.44
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
CASP3 P42574 3/20 0.42
SENP8 Q96LD8 3/20 0.42
SENP7 Q9BQF6 3/20 0.42
SENP6 Q9GZR1 3/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PLA2G7 Q13093 1/20 0.40
HSPA9 P38646 1/20 0.40
PLA2G4A P47712 2/20 0.39
HTT P42858 1/20 0.39
CES1 P23141 1/20 0.38
RAB9A P51151 1/20 0.38
AGER Q15109 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL28027939 0.86 ALDH1A1 (0.67) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19
SCHEMBL11254334 0.84 ALDH1A1 (0.59) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19
SCHEMBL12801063 0.83 ALDH1A1 (0.64) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19
SCHEMBL247631 0.82
SCHEMBL28219561 0.82 ALDH1A1 (0.68) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19
SCHEMBL4391375 0.80 ALDH1A1 (0.60) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19
Bromide SCHEMBL27358834 0.80
SCHEMBL175249 0.77 ALDH1A1 (0.67) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19
SCHEMBL14152809 0.75 ALDH1A1 (0.64) ALDH1A1RBBP9CYP1A2CYP2D6CYP2C19
SCHEMBL2170448 0.75

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 12 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
CN-1020730-C PREPARING METHOD FOR THIAZOLKETONE ADDITIVE MERRELL DOW PHARMA (US) 1993-05-19 CN disclosed
CN-86104968-A Cardiotonic heterocyclic carbonyl and acetyl thiazolones 1987-04-22 CN 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 28/4885RBBP9 4163/4885CYP1A2 297/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885RBBP9 4163/4885CYP1A2 297/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885RBBP9 1600/4885CYP1A2 4073/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ALDH1A1 2128/4885RBBP9 1600/4885CYP1A2 4073/4885

“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.