SCHEMBL5609677

SCHEMBL5609677

Cc1ccc(NC=O)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.40
ESR2 Q92731 1/20 0.40
PABPC1 P11940 1/20 0.36
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PAX8 Q06710 1/20 0.32
METAP2 P50579 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1674191 0.81 KDM5A (0.41) KDM5AESR2PABPC1ALDH1A1CYP3A4
SCHEMBL4776892 0.80 KEAP1 (0.52) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL5514299 0.76 TSHR (0.44) KDM5AESR2PABPC1ALDH1A1CYP3A4
SCHEMBL27565722 0.75 ESR2 (0.37) KDM5AESR2PABPC1ALDH1A1CYP3A4
SCHEMBL14793093 0.74 ALDH1A1 (0.36) ALDH1A1TSHRTDP2NSD2HSP90AA1
SCHEMBL7115093 0.74 KDM5A (0.34) KDM5AESR2PABPC1ALDH1A1TSHR
SCHEMBL13973233 0.74 TAS2R14 (0.39) KDM5AESR2PABPC1MAPTMAPK1
SCHEMBL13211841 0.72
SCHEMBL1335872 0.72 KMT2A (0.44) ALDH1A1CYP3A4TSHRTDP2NSD2
SCHEMBL30495360 0.71 KIF11 (0.39) KDM5AESR2PABPC1ALDH1A1CYP3A4

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
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
US-5739350-A COMPOUNDS CAPABLE OF BEING LINKED TO MONOCLONAL ANTIBODIES FOR DELIVERY TO TARGET CELLS PHARMACIA & UPJOHN COMPANY (US) 1998-04-14 US disclosed
US-4264619-A Tertiary aminoacids CIBA-GEIGY CORPORATION (US) 1981-04-28 US disclosed
US-4163788-A ANTIINFLAMMATORY CIBA-GEIGY CORPORATION (US) 1979-08-07 US disclosed
US-3979385-A HEAVY METAL COMPLEXING AGENTS HENKEL & CIE G.M.B.H. (DT) 1976-09-07 US 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 KDM5A 2718/4885ESR2 418/4885PABPC1 3505/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 KDM5A 2718/4885ESR2 418/4885PABPC1 3505/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 KDM5A 4851/4885ESR2 882/4885PABPC1 3860/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 KDM5A 4851/4885ESR2 882/4885PABPC1 3860/4885

“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.