SCHEMBL4736582

SCHEMBL4736582

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.59
PDE4B Q07343 2/20 0.45
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
RORC P51449 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL10305448 1.00 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL500787 1.00 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL6505486 1.00 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL500788 1.00 NR1H2 (0.59) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL30721755 0.91 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL1014216 0.91 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL2930155 0.91 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL2937360 0.91 NR1H2 (0.65) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL9972997 0.88 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2CHRM2
SCHEMBL19083300 0.88 NR1H2 (0.53) NR1H2PDE4BUSP2SMN1; SMN2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758402-B9 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-09-14 EP disclosed
EP-2758402-B1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2016-04-27 EP disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER (US) 2015-07-23 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
US-9040547-B2 Pyrrolopyrimidine and purine derivatives PFIZER INC. (US) 2015-05-26 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES PFIZER INC. 2013-03-28 US disclosed
US-8183019-B2 (3R,4R)-3-hydroxy-4-hydroxymethylpyrrolidine or (3S,4S)-3-hydroxy-4-hydroxymethylpyrrolidine; enzyme-catalysed enantioselective hydrolysis of a racemic 3,4-trans-disubstituted pyrrolidinone; for purine nucleoside phosphorylase (PNP) inhibitors INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-22 US disclosed
US-8173662-B2 Fused pyrimidines as inhibitors of nucleoside phosphorylases and nucleosidases INDUSTRIAL RESEARCH LIMITED (NZ) 2012-05-08 US 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-20090325986-A1 Deazapurine Analogs of 1'-Aza-L-Nucleosides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-31 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
US-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds ALBERT EINSTEIN COLLEGE OF MEDICINE 2008-11-13 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 (6 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 NR1H2 4274/4885PDE4B 535/4885USP2 3999/4885
US-20080280334-A1 Method for Preparing 3-Hydroxy-4-Hydroxymethyl-Pyrrolidine Compounds HPD, DHPS, CYP3A5 NR1H2 1734/4885PDE4B 488/4885USP2 2201/4885
US-20130079324-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS NR1H2 4568/4885PDE4B 814/4885USP2 4431/4885
US-20150203502-A1 PYRROLOPYRIMIDINE AND PURINE DERIVATIVES TYMP, DPYD, TYMS NR1H2 4568/4885PDE4B 814/4885USP2 4431/4885
US-20090325986-A1 Deazapurine Analogs of 1'-Aza-L-Nucleosides TPMT, TYMP, DUT NR1H2 4561/4885PDE4B 375/4885USP2 4394/4885
US-20100094003-A1 Process for preparing inhibitors of nucleoside phosphorylases and nucleosidases PNP, MTAP, TYMP NR1H2 4417/4885PDE4B 432/4885USP2 3379/4885

“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.