SCHEMBL5610080

SCHEMBL5610080

Cc1cc(C[S])c(C)c(C)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SHBG P04278 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PSMD14 O00487 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
THRB P10828 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HMGB1 P09429 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
SCHEMBL5609811 0.82 CA1 (0.39) CA1CA2SHBGESR1ESR2
SCHEMBL30485796 0.81 SHBG (0.43) CA1CA2SHBGESR1ESR2
SCHEMBL1176032 0.81 SHBG (0.43) CA1CA2SHBGESR1ESR2
SCHEMBL31146724 0.81 SHBG (0.43) CA1CA2SHBGESR1ESR2
SCHEMBL25327633 0.79 ESR1 (0.41) CA1CA2SHBGESR1ESR2
SCHEMBL5608947 0.79 SHBG (0.52) CA1CA2SHBGESR1ESR2
SCHEMBL31092528 0.79 ESR1 (0.41) CA1CA2SHBGESR1ESR2
SCHEMBL5355803 0.78 NPSR1 (0.33) NPSR1ALDH1A1CYP1A2
SCHEMBL5610616 0.78 TYR (0.35) CA1CA2SHBGESR1ESR2
Dimethylamine SCHEMBL7749864 0.77 SHBG (0.41) CA1CA2SHBGESR1ESR2

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 CA1 265/4885CA2 217/4885SHBG 873/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 CA1 265/4885CA2 217/4885SHBG 873/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CA1 3597/4885CA2 1808/4885SHBG 57/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CA1 3597/4885CA2 1808/4885SHBG 57/4885

“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.