SCHEMBL5216028

SCHEMBL5216028

Oc1ccc(C2CCOCC2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 4/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRKAB2 O43741 3/20 0.40
PRKAG1 P54619 3/20 0.40
PRKAA2 P54646 3/20 0.40
PRKAA1 Q13131 3/20 0.40
PRKAG3 Q9UGI9 3/20 0.40
PRKAG2 Q9UGJ0 3/20 0.40
PRKAB1 Q9Y478 3/20 0.40
ACMSD Q8TDX5 2/20 0.40
TTR P02766 1/20 0.40
SERPINE1 P05121 1/20 0.39
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
ESR2 Q92731 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
S1PR1 P21453 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
SCHEMBL10508547 0.87 QDPR (0.50) QDPRTSHRHSD17B10ACMSDTTR
SCHEMBL23420907 0.83 ACMSD (0.51) QDPRTSHRHSD17B10ACMSDTTR
SCHEMBL5213516 0.83 ACMSD (0.56) QDPRTSHRHSD17B10ACMSDTTR
SCHEMBL7458427 0.81 ACMSD (0.57) QDPRTSHRHSD17B10ACMSDCA2
SCHEMBL10787094 0.81 ACMSD (0.57) QDPRTSHRHSD17B10ACMSDCA2
SCHEMBL7153005 0.80 ESR2 (0.55) QDPRTSHRHSD17B10ACMSDTTR
SCHEMBL7153002 0.80 ESR2 (0.55) QDPRTSHRHSD17B10ACMSDTTR
SCHEMBL31063246 0.79 QDPR (0.43) QDPRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5214730 0.76 QDPR (0.41) QDPRTSHRHSD17B10ACMSDTTR
SCHEMBL29566733 0.76 QDPR (0.73) QDPRPRKAB2PRKAG1PRKAA2PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194147-B1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2007-01-10 EP disclosed
US-6465497-B2 SUBSTITUTED 5-ARYL-2,4-THIAZOLIDINEDIONES AND OXAZOLIDINEDIONES; AGONISTS OF PPAR (PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR); USEFUL TREATING DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA, AND OBESITY MERCK & CO., INC. 2002-10-15 US disclosed
EP-1194147-A4 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO INC (US) 2002-10-09 EP disclosed
US-6380191-B1 FOR TREATMENT, CONTROL OR PREVENTION OF DIABETES, HYPERGLYCEMIA, HYPERLIPIDEMIA (INCLUDING HYPERCHOLESTEROLEMIA AND HYPERTRIGLYCERIDEMIA), ATHEROSCLEROSIS, OBESITY, VASCULAR RESTENOSIS MERCK & CO. INC. 2002-04-30 US disclosed
EP-1194147-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES Merck & Co., Inc. (US) 2002-04-10 EP disclosed
US-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity MERCK & CO., INC. 2002-03-28 US disclosed
WO-2000078313-A1 ARYLTHIAZOLIDINEDIONE AND ARYLOXAZOLIDINEDIONE DERIVATIVES MERCK & CO., INC. (US) 2000-12-28 WO disclosed
US-4078076-A HYPOLIPEMIC ACTIVITY ROUSSEL UCLAF (FR) 1978-03-07 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 (1 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-20020037911-A1 Substituted 5-aryl-2,4-thiazolidinediones and oxazolidinediones; agonists of PPAR (Peroxisome proliferator activated receptor); useful treating diabetes, hyperglycemia, hyperlipidemia, and obesity PPARD, PPARA, PPARG QDPR 1784/4885TSHR 123/4885HSD17B10 137/4885

“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.