SCHEMBL3856997

SCHEMBL3856997

Nc1nc2c(ncn2C[C@@H](CF)OCP)c(=O)[nH]1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 16/20 0.71
BLM P54132 2/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
CYP3A4 P08684 1/20 0.58
NFKB1 P19838 1/20 0.58
VCP P55072 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HIF1A Q16665 1/20 0.58
USP2 O75604 1/20 0.52
PNP P00491 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HTR2A P28223 1/20 0.52
RECQL P46063 1/20 0.52
HBB P68871 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL8624420 1.00 HPRT1 (0.71) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL2927244 0.89 HPRT1 (0.72) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL20012380 0.87 HPRT1 (0.71) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL20997370 0.86 HPRT1 (0.70) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL16066014 0.85 HPRT1 (0.69) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL3856994 0.85 HPRT1 (0.81) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL9189420 0.85 HPRT1 (0.81) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL16020658 0.85 HPRT1 (0.81) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL9194372 0.84 HPRT1 (0.65) HPRT1BLMMEN1ALDH1A1LMNA
SCHEMBL20012367 0.82 HPRT1 (0.63) HPRT1BLMMEN1ALDH1A1LMNA

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
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
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PHARMACIA CORPORATION 2005-02-03 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 (2 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 778/4885BLM 3052/4885MEN1 944/4885
US-20050026902-A1 Methods and compositions for the treatment or prevention of human immunodeficiency virus and related conditions using cyclooxygenase-2 selective inhibitors and antiviral agents PTGS2, PTGS1, PTGES2 HPRT1 327/4885BLM 4569/4885MEN1 4840/4885

“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.