SCHEMBL3860363

SCHEMBL3860363

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

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 12/20 0.56
CYP3A4 P08684 1/20 0.53
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
TYMP P19971 1/20 0.44
FGFR1 P11362 2/20 0.42
SLC22A6 Q4U2R8 2/20 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
SCHEMBL29624179 1.00 HPRT1 (0.56) HPRT1CYP3A4CDK1CCNB1CCNE1
SCHEMBL9193126 1.00 HPRT1 (0.56) HPRT1CYP3A4CDK1CCNB1CCNE1
SCHEMBL15516660 0.90 HPRT1 (0.55) HPRT1CYP3A4CDK1CCNB1CCNE1
SCHEMBL29450587 0.90 HPRT1 (0.55) HPRT1CYP3A4CDK1CCNB1CCNE1
SCHEMBL172847 0.90 HPRT1 (0.55) HPRT1CYP3A4CDK1CCNB1CCNE1
SCHEMBL14669190 0.87 CYP3A4 (0.53) HPRT1CYP3A4CDK1CCNB1CCNE1
SCHEMBL14669198 0.87 CYP3A4 (0.53) HPRT1CYP3A4CDK1CCNB1CCNE1
SCHEMBL14669210 0.87 CYP3A4 (0.53) HPRT1CYP3A4CDK1CCNB1CCNE1
SCHEMBL2928584 0.85 CYP3A4 (0.72) HPRT1CYP3A4FGFR1SLC22A6
SCHEMBL384145 0.85 CYP3A4 (0.72) HPRT1CYP3A4FGFR1SLC22A6

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-0533833-B1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1995-12-20 EP claimed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
EP-1753762-B1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS METABASIS THERAPEUTICS INC (US) 2014-03-19 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
US-7582758-B2 producing cyclic phosphonic acid diesters prodrugs, used to improve the oral bioavailability; by reacting a chiral 1,3-diol and an activated phosphonic acid in the presence of a Lewis acid; Adefovir drug target delivery to liver METABASIS THERAPEUTICS, INC. (US) 2009-09-01 US disclosed
EP-1753762-A1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS Metabasis Therapeutics, Inc. (US) 2007-02-21 EP disclosed
WO-2005123729-A1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS METABASIS THERAPEUTICS, INC. (US) 2005-12-29 WO disclosed
US-20050282782-A1 Lewis acid mediated synthesis of cyclic esters CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2005-12-22 US disclosed
US-5733896-A VIRICIDE FOR RETROVIRUS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1998-03-31 US disclosed
EP-0454427-B1 Antiretroviral bases ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1995-12-06 EP disclosed
EP-0540707-B1 Di(2-PROPYL)ESTERS OF 1-FLUORO-2-PHOSPHONOMETHOXY-3-P-TOLUENESULFONYLOXYPROPANES, THEIR PRODUCING AND UTILIZATION ACAD OF SCIENCE CZECH REPUBLIC (CS) 1995-11-15 EP disclosed
US-5352786-A Di(2-propyl)esters of 1-fluoro-2-phosphonomethoxy-3-P-to-luenesulfonyloxypropanes, their producing and utilization INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1994-10-04 US disclosed
EP-0540707-A1 Di(2-PROPYL)ESTERS OF 1-FLUORO-2-PHOSPHONOMETHOXY-3-P-TOLUENESULFONYLOXYPROPANES, THEIR PRODUCING AND UTILIZATION. CESKOSLOVENSKA AKADEMIE VED (CS) 1993-05-12 EP disclosed
WO-1992020692-A1 DI(2-PROPYL)ESTERS OF 1-FLUORO-2-PHOSPHONOMETHOXY-3-P-TOLUENESULFONYLOXYPROPANES, THEIR PRODUCING AND UTILIZATION GILEAD SCIENCES, INC. (US) 1992-11-26 WO disclosed
WO-1992020691-A1 Di(2-PROPYL)ESTERS OF 1-FLUORO-2-PHOSPHONOMETHOXY-3-P-TOLUENESULFONYLOXYPROPANES, THEIR PRODUCING AND UTILIZATION C^¿ESKOSLOVENSKÁ AKADEMIE VE^¿D (CS) 1992-11-26 WO disclosed
EP-0454427-A1 Antiretroviral bases Institute of Organic Chemistry and Biochemistry of the Academy of Sciences of the Czech Republic (CZ) 1991-10-30 EP 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-20050282782-A1 Lewis acid mediated synthesis of cyclic esters PHOSPHO1, LPAR1, LPAR2 HPRT1 778/4885CYP3A4 3253/4885CDK1 759/4885

“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.