SCHEMBL5213230

SCHEMBL5213230

O=C(O)CC1COC(COC(=O)c2ccccc2)O1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
PPM1B O75688 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HIF1A Q16665 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 2/20 0.39

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
SCHEMBL7782571 1.00 NPC1 (0.43) NPC1PPM1BCHRNB2CHRNA5CHRNA7
SCHEMBL1930298 1.00 NPC1 (0.43) NPC1PPM1BCHRNB2CHRNA5CHRNA7
SCHEMBL7187471 1.00 NPC1 (0.43) NPC1PPM1BCHRNB2CHRNA5CHRNA7
SCHEMBL7187461 0.91 PPM1B (0.44) NPC1PPM1BCHRNB2CHRNA5CHRNA7
SCHEMBL5426737 0.88 NPC1 (0.44) NPC1PPM1BCHRNB2CHRNA5CHRNA7
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL21245419 0.81 NPC1 (0.56) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL14570069 0.81 NPC1 (0.56) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL133986 0.81 NPC1 (0.56) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 0.81 NPC1 (0.56) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL20869808 0.81 CHRNB2 (0.46) NPC1PPM1BCHRNB2CHRNA5CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265890-B1 STEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC (CA) 2007-04-18 EP disclosed
US-6743910-B2 VIRICIDES, ANTICANCER AGENTS BIOCHEM PHARMA, INC. (CA) 2004-06-01 US disclosed
US-20030187262-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA INC. (CA) 2003-10-02 US disclosed
US-6541625-B2 Stereoselectively hydrolyzing an anomeric mixture of 2-benzoyloxydioxolanecarboxylate with an enzyme; separating product; replacing carboxylate by reaction with a purine or pyrimidinyl derivative BIOCHEM PHARMA, INC. (CA) 2003-04-01 US disclosed
EP-1265890-A1 STEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES Shire Biochem Inc. (CA) 2002-12-18 EP disclosed
US-20020006635-A1 Stereoselective synthesis of nucleoside analogues BIOCHEM PHARMA, INC. (CA) 2002-01-17 US disclosed
EP-1151133-A1 STEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES McGILL UNIVERSITY (CA) 2001-11-07 EP disclosed
WO-2001058894-A1 STEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC. (CA) 2001-08-16 WO disclosed
WO-2000047759-A1 STEREOSELECTIVE SYNTHESIS OF NUCLEOSIDE ANALOGUES SHIRE BIOCHEM INC. (CA) 2000-08-17 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-20030187262-A1 Stereoselective synthesis of nucleoside analogues PNP, CTRC, CPN1 NPC1 3102/4885PPM1B 450/4885CHRNB2 1905/4885

“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.