SCHEMBL3188002

SCHEMBL3188002

CCC[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.49
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PIK3CD O00329 1/20 0.36
RECQL P46063 1/20 0.36
EPHX1 P07099 1/20 0.36
PDE4B Q07343 2/20 0.36

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
SCHEMBL19083300 0.88 NR1H2 (0.53) NR1H2USP2SMN1; SMN2NAMPTCHRM2
SCHEMBL13098438 0.88 NR1H2 (0.53) NR1H2USP2SMN1; SMN2NAMPTCHRM2
SCHEMBL9972997 0.88 NR1H2 (0.53) NR1H2USP2SMN1; SMN2NAMPTCHRM2
SCHEMBL15866101 0.87 NR1H2 (0.49) NR1H2USP2SMN1; SMN2NAMPTCHRM2
SCHEMBL14222487 0.87 NR1H2 (0.49) NR1H2USP2SMN1; SMN2NAMPTCHRM2
SCHEMBL19064075 0.86 NR1H2 (0.48) NR1H2USP2SMN1; SMN2NAMPTCHRM2
SCHEMBL19064074 0.86 NR1H2 (0.48) NR1H2USP2SMN1; SMN2NAMPTCHRM2
SCHEMBL19064078 0.86 NR1H2 (0.48) NR1H2USP2SMN1; SMN2NAMPTCHRM2
SCHEMBL19123415 0.86 NR1H2 (0.48) NR1H2USP2SMN1; SMN2NAMPTCHRM2
SCHEMBL19063712 0.84 NR1H2 (0.47) NR1H2USP2SMN1; SMN2NAMPTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590360-B1 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND NUCLEOSIDASES IND RES LTD (NZ) 2012-07-11 EP disclosed
US-20100094003-A1 Process for preparing inhibitors of nucleoside phosphorylases and nucleosidases EVANS GARY BRIAN 2010-04-15 US disclosed
US-7655795-B2 (3R,4R)-1-[(9-deazahypoxanthin-9-yl)methyl]-3-hydroxy-4-hydroxymethyl-pyrrolidine; reaction of formaldehydewith a cyclic amine and a heteroaromatic compound to give methylene linked cyclic amine deazapurines; cancer, bacterial, protozoal infections or T-cell mediated diseases INDUSTRIAL RESEARCH LIMITED (NZ) 2010-02-02 US disclosed
US-20060217551-A1 Process for preparing inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2006-09-28 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 (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-20060217551-A1 Process for preparing inhibitors of nucleoside phosphorylases and nucleosidases PNP, MTAP, TYMP NR1H2 4417/4885USP2 3379/4885SMN1; SMN2 2999/4885
US-20100094003-A1 Process for preparing inhibitors of nucleoside phosphorylases and nucleosidases PNP, MTAP, TYMP NR1H2 4417/4885USP2 3379/4885SMN1; SMN2 2999/4885

“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.