SCHEMBL2351355

SCHEMBL2351355

COc1cc(OCCOP(=O)(OCc2ccccc2)OCc2ccccc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ ADRB2 P07550 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA6 P23280 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ ESR1 P03372 2/20 0.41
▸ EBP Q15125 2/20 0.41

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
SCHEMBL12313533 0.89 PKM (0.51) GSK3BBACE1ADRB2CA12CA4
SCHEMBL2351410 0.89 INPPL1 (0.46) ADRB2KDM4EMAOBHDAC6MAPK1
SCHEMBL2463713 0.87 MAOB (0.43) GSK3BBACE1ADRB2MAOB
SCHEMBL2353609 0.84 TSHR (0.45) MAPTKDM4EMAOBL3MBTL1LMNA
SCHEMBL2353506 0.83 ALOX5 (0.52) ADRB2LMNAMAPK1
SCHEMBL12337534 0.83 CYP3A4 (0.45) KDM4E
SCHEMBL1550410 0.80 MAOB (0.58) GSK3BBACE1CA12CA4CA6
SCHEMBL2351412 0.79 INPPL1 (0.53) ADRB2KDM4EMAOBHDAC6MAPK1
SCHEMBL12313531 0.77 PKM (0.48) GSK3BBACE1ADRB2MAOB
SCHEMBL2354036 0.75 INPPL1 (0.43) ADRB2KDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348859-B1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-12-04 — — EP disclosed
US-8354454-B2 Prodrugs of oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-01-15 — — US disclosed
US-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME LLC 2011-09-08 — — US disclosed
EP-2348859-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS Merck Sharp & Dohme Corp. (US) 2011-08-03 — — EP disclosed
WO-2010039474-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-04-08 — — 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 (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-20110218177-A1 PRODRUGS OF OXAZOLIDINONE CETP INHIBITORS CETP, SLCO2B1, OXA1L GSK3B 770/4885BACE1 578/4885ADRB2 2189/4885

“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.

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