SCHEMBL3852270

SCHEMBL3852270

Nc1ncc2ncn(CCOCP)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ADRA1A P35348 1/20 0.50
HSD17B10 Q99714 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
HDAC6 Q9UBN7 2/20 0.43
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 4/20 0.35
FGFR1 P11362 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
LTA4H P09960 1/20 0.33
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNE1 P24864 2/20 0.31
CDK2 P24941 2/20 0.31
POLA1 P09884 1/20 0.31

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
SCHEMBL8933938 0.84 HSD17B10 (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2773942 0.82 ALDH1A1 (0.55) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6361387 0.82 KDM4E (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2734887 0.80 KDM4E (0.51) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL2734857 0.80 FGFR1 (0.58) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL30361311 0.80 FGFR1 (0.58) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL6948973 0.78 L3MBTL1 (0.56) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL3151968 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL3157542 0.77 HSD17B10 (0.52) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL14010824 0.77 KDM4E (0.55) KDM4EALDH1A1HPGDADRA1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753762-B1 LEWIS ACID MEDIATED SYNTHESIS OF CYCLIC ESTERS METABASIS THERAPEUTICS INC (US) 2014-03-19 EP 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

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 KDM4E 4293/4885ALDH1A1 900/4885HPGD 647/4885

“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.