SCHEMBL15516660

SCHEMBL15516660

Nc1nc(N)c2ncn(CC(CO)OCP(=O)(O)O)c2n1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 11/20 0.55
CYP3A4 P08684 2/20 0.54
FGFR1 P11362 2/20 0.53
SLC22A6 Q4U2R8 2/20 0.52
CDK1 P06493 1/20 0.47
CCNB1 P14635 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
TYMP P19971 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
VCP P55072 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL29450587 1.00 HPRT1 (0.55) HPRT1CYP3A4FGFR1SLC22A6CDK1
SCHEMBL172847 1.00 HPRT1 (0.55) HPRT1CYP3A4FGFR1SLC22A6CDK1
SCHEMBL97303 0.91 HPRT1 (0.51) HPRT1CYP3A4FGFR1SLC22A6CDK1
SCHEMBL14669210 0.90 CYP3A4 (0.53) HPRT1CYP3A4FGFR1SLC22A6CDK1
SCHEMBL14669198 0.90 CYP3A4 (0.53) HPRT1CYP3A4FGFR1SLC22A6CDK1
SCHEMBL14669190 0.90 CYP3A4 (0.53) HPRT1CYP3A4FGFR1SLC22A6CDK1
SCHEMBL3860363 0.90 HPRT1 (0.56) HPRT1CYP3A4FGFR1SLC22A6CDK1
SCHEMBL29624179 0.90 HPRT1 (0.56) HPRT1CYP3A4FGFR1SLC22A6CDK1
SCHEMBL9193126 0.90 HPRT1 (0.56) HPRT1CYP3A4FGFR1SLC22A6CDK1
SCHEMBL8911145 0.89 FGFR1 (0.54) HPRT1CYP3A4FGFR1SLC22A6TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016820-A1 Lipid Disulfide Prodrugs and Uses Related Thereto UNIV EMORY (US) 2024-01-18 US disclosed
US-11801255-B2 Lipid disulfide prodrugs and uses related thereto EMORY UNIVERSITY (US) 2023-10-31 US disclosed
US-20210338696-A1 Lipid Disulfide Prodrugs and Uses Related Thereto UNIV EMORY (US) 2021-11-04 US disclosed
US-10688112-B2 Lipid disulfide prodrugs and uses related thereto EMORY UNIVERSITY (US) 2020-06-23 US disclosed
US-20190015432-A1 Lipid Disulfide Prodrugs and Uses Related Thereto EMORY UNIVERSITY 2019-01-17 US disclosed
WO-2014033688-A1 A PROCESS FOR THE PREPARATION OF (R)-9-[2-(PHOSPHONOMETH-OXY)PROPYL]ADENINE (PMPA) ITHEMBA PHARMACEUTICALS (PROPRIETARY) LIMITED (ZA) 2014-03-06 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 (5 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-20210338696-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, GSTO1 HPRT1 122/4885CYP3A4 601/4885FGFR1 3777/4885
US-20240016820-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, SGMS2 HPRT1 149/4885CYP3A4 612/4885FGFR1 3912/4885
US-10688112-B2 Lipid disulfide prodrugs and uses related thereto SMPD1, SGMS1, GSTO1 HPRT1 122/4885CYP3A4 601/4885FGFR1 3777/4885
US-11801255-B2 Lipid disulfide prodrugs and uses related thereto SMPD1, SGMS1, GSTO1 HPRT1 122/4885CYP3A4 601/4885FGFR1 3777/4885
US-20190015432-A1 Lipid Disulfide Prodrugs and Uses Related Thereto SMPD1, SGMS1, GSTO1 HPRT1 122/4885CYP3A4 601/4885FGFR1 3777/4885

“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.