SCHEMBL15615744

SCHEMBL15615744

CC(CO)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.49
LIPG Q9Y5X9 12/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
F11 P03951 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
ESR2 Q92731 1/20 0.40
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
SNCA P37840 1/20 0.37
DGAT1 O75907 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL20913213 0.93 LPL (0.43) LPLLIPGCA1CA2CA9
SCHEMBL16382778 0.86 CA1 (0.49) LPLLIPGCA1CA2CA9
SCHEMBL28334985 0.86 LPL (0.54) LPLLIPGCA1CA2CA9
SCHEMBL24467420 0.86 LPL (0.54) LPLLIPGCA1CA2CA9
SCHEMBL20424266 0.85 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL20911819 0.83 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL22604529 0.83 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL25330900 0.82 LIPG (0.44) LPLLIPGCA1CA2CA9
SCHEMBL25330897 0.82 LIPG (0.44) LPLLIPGCA1CA2CA9
SCHEMBL29530408 0.82 LIPG (0.44) LPLLIPGCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888006-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES USEFUL AS AMPK ACTIVATORS MERCK SHARP & DOHME (US) 2019-04-24 EP disclosed
EP-2888005-B1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME (US) 2019-04-03 EP disclosed
US-9382243-B2 Azabenzimidazole tetrahydropyran derivatives MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382243-B2 Azabenzimidazole tetrahydropyran derivatives MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9382243-B2 Azabenzimidazole tetrahydropyran derivatives MERCK SHARP & DOHME CORP. (US) 2016-07-05 US disclosed
US-9290517-B2 Azabenzimidazole hexahydrofuro[3,2-b]furan derivatives MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-9290517-B2 Azabenzimidazole hexahydrofuro[3,2-b]furan derivatives MERCK SHARP & DOHME CORP. (US) 2016-03-22 US disclosed
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-10-08 US disclosed
US-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-10-08 US disclosed
US-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
US-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME LLC 2015-07-30 US disclosed
WO-2014031465-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2014-02-27 WO 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 (2 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-20150284411-A1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[E,2-B]FURAN DERIVATIVES PRKAG2, PRKAB2, PRKAG1 LPL 450/4885LIPG 279/4885CA1 4885/4885
US-20150210685-A1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES PRKAG2, PRKAB2, PRKAG1 LPL 708/4885LIPG 415/4885CA1 4878/4885

“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.