SCHEMBL2354041

SCHEMBL2354041

CC(C)Oc1cc(OCCOP(=O)(O)O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ INPPL1 O15357 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ADRB2 P07550 2/20 0.39
▸ THRA P10827 5/20 0.36
▸ THRB P10828 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ STK17B O94768 1/20 0.33
▸ INPP5A Q14642 1/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ MAOB P27338 1/20 0.33

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
SCHEMBL2354036 0.90 INPPL1 (0.43) INPPL1NPSR1ADRB2THRATHRB
SCHEMBL12313590 0.89 INPPL1 (0.55) INPPL1NPSR1KDM4ENSD2ALDH1A1
SCHEMBL12337537 0.88 INPPL1 (0.51) INPPL1NPSR1ALDH1A1INPP5A
SCHEMBL12337367 0.85 CYP3A4 (0.41) INPPL1ADRB2ALDH1A1
SCHEMBL2351412 0.85 INPPL1 (0.53) INPPL1ADRB2THRATHRBKDM4E
SCHEMBL12313586 0.84 INPPL1 (0.49) INPPL1NPSR1THRATHRBKDM4E
SCHEMBL2469681 0.81 IRAK4 (0.37) INPPL1ALDH1A1IRAK4STK17BINPP5A
SCHEMBL2463713 0.81 MAOB (0.43) NPSR1ADRB2PKMMAOB
SCHEMBL12313531 0.80 PKM (0.48) NPSR1ADRB2PKMMAOB
SCHEMBL12337231 0.79 INPPL1 (0.59) INPPL1ALDH1A1SMN1; SMN2INPP5A

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 INPPL1 1753/4885NPSR1 3083/4885ADRB2 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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