SCHEMBL9974807

SCHEMBL9974807

CCCCOCn1cc(C=O)c2ncnc(OC(C)(C)C)c21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL12539923 0.84 MAP3K7 (0.32)
SCHEMBL9974801 0.82 KMT2A (0.33)
SCHEMBL13713523 0.76 SMN1; SMN2 (0.34) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL13713577 0.72 SMN1; SMN2 (0.33) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL13713578 0.70 SMN1; SMN2 (0.36) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL12564984 0.68
SCHEMBL13713524 0.67 SMN1; SMN2 (0.33) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL13768010 0.66 KDM4E (0.47) KDM4EALDH1A1HPGDTSHRMAPK1
SCHEMBL9974797 0.64 P2RX7 (0.31) SMN1; SMN2HSD17B10
SCHEMBL1475089 0.58 MAP3K7 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE VICTORIA LINK LIMITED (NZ) 2017-06-15 US disclosed
US-9493465-B2 3-hydroxypyrrolidine inhibitors of 5′-methylthioadenosine phosphorylase and nucleosidase VICTORIA LINK LIMITED (NZ) 2016-11-15 US disclosed
US-8853224-B2 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases INDUSTRIAL RESEARCH LIMITED (NZ) 2014-10-07 US disclosed
US-8383636-B2 Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase INDUSTRIAL RESEARCH LIMITED (NZ) 2013-02-26 US disclosed
WO-2012150866-A1 PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF INDUSTRIAL RESEARCH LIMITED (NZ) 2012-11-08 WO disclosed
US-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2012-06-21 US disclosed
EP-2395005-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases Industrial Research Limited (NZ) 2011-12-14 EP disclosed
US-20110130412-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases BIOCRYST PHARMACEUTICALS, INC. 2011-06-02 US disclosed
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF MEDICINE 2011-02-24 US disclosed
WO-2011008110-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE ALBERT EINSTEIN COLLEGE OF YESHIVA UNIVERSITY (US) 2011-01-20 WO disclosed
WO-2008030119-A9 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2009-09-24 WO disclosed
WO-2008030118-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO disclosed
WO-2008030119-A1 ACYCLIC AMINE INHIBITORS OF NUCLEOSIDE PHOSPHORYLASES AND HYDROLASES INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 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 (4 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-20120157479-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP KDM4E 1215/4885ALDH1A1 1539/4885HPGD 433/4885
US-20110130412-A1 Acyclic amine inhibitors of nucleoside phosphorylases and hydrolases PNP, TYMP, NTPCR KDM4E 1871/4885ALDH1A1 2065/4885HPGD 1129/4885
US-20170166573-A1 3-HYDROXYPYRROLIDINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE TYMP, MTAP, PNP KDM4E 1186/4885ALDH1A1 1504/4885HPGD 444/4885
US-20110046167-A1 ACYCLIC AMINE INHIBITORS OF 5-METHYTIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE MTAP, PNP, TYMP KDM4E 1239/4885ALDH1A1 1228/4885HPGD 1369/4885

“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.