SCHEMBL14636768

SCHEMBL14636768

CNC(=O)C(O)CNC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.35
MTNR1A P48039 7/20 0.34
MTNR1B P49286 7/20 0.34
KISS1R Q969F8 2/20 0.33
TSHR P16473 1/20 0.33
MMP1 P03956 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PAOX Q6QHF9 2/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL17275459 0.82 CYP2D6 (0.50) ALDH1A1CYP2D6CYP2C19
SCHEMBL5610698 0.80 HIF1A (0.42) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL7082573 0.76 OR51E2 (0.42) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL19057919 0.76 MMP1 (0.38) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL16688760 0.76 KDM4E (0.34) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL18361542 0.72 MEN1 (0.44) KDM4ECYP2D6
SCHEMBL1866035 0.72 KDM4E (0.43) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL7826230 0.72
SCHEMBL1866034 0.72 KDM4E (0.43) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL13411703 0.72 KDM4E (0.43) KDM4EMAPK1HIF1ANPC1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 KDM4E 3256/4885MAPK1 2930/4885HIF1A 4003/4885

“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.