SCHEMBL4736586

SCHEMBL4736586

CC(C)(C)OC(=O)N1C[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
STS P08842 1/20 0.44
KLK7 P49862 3/20 0.44
GPR119 Q8TDV5 2/20 0.43
TACR1 P25103 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
KLK5 Q9Y337 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
NAMPT P43490 1/20 0.42
RORC P51449 1/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
YAP1 P46937 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL1573273 1.00 BACE1 (0.45) BACE1BACE2STSKLK7GPR119
SCHEMBL19214882 0.86 BACE1 (0.47) BACE1BACE2STSKLK7GPR119
SCHEMBL19214884 0.86 BACE1 (0.45) BACE1BACE2STSKLK7GPR119
SCHEMBL25364485 0.85 KLK7 (0.46) BACE1BACE2STSKLK7GPR119
SCHEMBL19214885 0.85 KLK7 (0.46) BACE1BACE2STSKLK7GPR119
SCHEMBL19214937 0.85 BACE1 (0.47) BACE1BACE2STSKLK7GPR119
SCHEMBL31669456 0.85 JAK2 (0.43) STSGPR119TACR1JAK2JAK1
SCHEMBL2978399 0.84 BACE1 (0.49) BACE1BACE2STSKLK7GPR119
SCHEMBL2978390 0.84 BACE1 (0.44) BACE1BACE2STSKLK7GPR119
SCHEMBL25362188 0.84 KLK7 (0.45) BACE1BACE2STSKLK7GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173662-B2 Fused pyrimidines as inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-08 US disclosed
US-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases BIOCRYST PHARMACEUTICALS, INC. 2009-09-24 US disclosed
US-7553839-B2 5h-pyrrolo[3,2-D] pyrimidine inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2009-06-30 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-20090239885-A1 Inhibitors of nucleoside phoshorylases and nucleosidases PNP, MTAP, TYMP BACE1 1900/4885BACE2 2637/4885STS 1208/4885

“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.