SCHEMBL2086452

SCHEMBL2086452

CC(C)(OC(=O)Cl)OC(=O)Cl

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 2/20 0.30

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
SCHEMBL79871 0.80
SCHEMBL8119240 0.78
SCHEMBL14962814 0.78
SCHEMBL13485473 0.75
SCHEMBL22972244 0.75
SCHEMBL13629200 0.75
SCHEMBL11791240 0.73
SCHEMBL10703583 0.73 PPARA (0.39) ALDH1A1TSHR
SCHEMBL56282 0.73 THRB (0.33)
SCHEMBL2957477 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP claimed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US claimed
EP-1963295-B1 3, 6-DIHYDRO-2-OXO-6H-(1,3,4)THIADIAZINE DERIVATIVES MERCK PATENT GMBH (DE) 2011-08-03 EP claimed
EP-1951697-B1 SUBSTITUTED 5-PHENYL-3,6-DIHYDRO-2-OXO-6H-[1,3,4]THIADIAZINES MERCK PATENT GMBH (DE) 2011-07-27 EP claimed
US-7902186-B2 Substituted 5-phenyl-3,6-dihydro-2-oxo-6H-1,3,4-thiadiazines MERCK PATENT GMBH (DE) 2011-03-08 US claimed
US-7534785-B2 e.g.1-{3-[5-(4-chlorophenyl)-2-oxo-6H-1,3,4-thiadiazin-3-ylmethyl]phenyl}-3-(1-methylpyrrolidin-3-ylmethyl)urea; inhibitors of tyrosine kinases, in particular Met kinase; antitumor, antiinflammatory agent MERCK PATENT GESELLSCHAFT (DE) 2009-05-19 US claimed
US-20080318936-A1 Substituted 5-Phenyl-3,6-Dihydro-2-Oxo-6H-1,3,4-Thiadiazines MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US claimed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US claimed
US-20080306052-A1 3, 6-Dihydro-2-Oxo-6H-1,3,4,-Thiadiazine Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-11 US claimed
US-8158799-B2 Hydroxyquinoline derivatives Merck Patent Gesellschaft MIT Meschraenkter Haftung (DE) 2012-04-17 US disclosed
US-7902186-B2 Substituted 5-phenyl-3,6-dihydro-2-oxo-6H-1,3,4-thiadiazines MERCK PATENT GMBH (DE) 2011-03-08 US disclosed
US-20100004313-A1 Modified Poloxamers for Gene Expression and Associated Methods TBD 2010-01-07 US disclosed
US-20100004313-A1 Modified Poloxamers for Gene Expression and Associated Methods TBD 2010-01-07 US disclosed
US-7534785-B2 e.g.1-{3-[5-(4-chlorophenyl)-2-oxo-6H-1,3,4-thiadiazin-3-ylmethyl]phenyl}-3-(1-methylpyrrolidin-3-ylmethyl)urea; inhibitors of tyrosine kinases, in particular Met kinase; antitumor, antiinflammatory agent MERCK PATENT GESELLSCHAFT (DE) 2009-05-19 US disclosed
US-20080318936-A1 Substituted 5-Phenyl-3,6-Dihydro-2-Oxo-6H-1,3,4-Thiadiazines MERCK PATENT GESELLSCHAFT (DE) 2008-12-25 US disclosed
US-20080312278-A1 Hydroxyquinoline Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-18 US disclosed
US-20080306052-A1 3, 6-Dihydro-2-Oxo-6H-1,3,4,-Thiadiazine Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-12-11 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-20080312278-A1 Hydroxyquinoline Derivatives MKI67, CCNT1, CCNY DGAT1 3029/4885GAA 2405/4885ALDH1A1 820/4885
US-20080318936-A1 Substituted 5-Phenyl-3,6-Dihydro-2-Oxo-6H-1,3,4-Thiadiazines ABL1, RET, ERBB2 DGAT1 4343/4885GAA 4034/4885ALDH1A1 994/4885
US-20100004313-A1 Modified Poloxamers for Gene Expression and Associated Methods POLRMT, POLM, POLN DGAT1 3740/4885GAA 894/4885ALDH1A1 4239/4885
US-20080306052-A1 3, 6-Dihydro-2-Oxo-6H-1,3,4,-Thiadiazine Derivatives MET, ABL1, RET DGAT1 3996/4885GAA 3743/4885ALDH1A1 509/4885

“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.