SCHEMBL13541018

SCHEMBL13541018

CNCC(O)CNC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 4/20 0.47
KDM4E B2RXH2 3/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.36
MTNR1A P48039 5/20 0.35
MTNR1B P49286 5/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ANPEP P15144 1/20 0.32

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
SCHEMBL15834120 1.00 KISS1R (0.47) KISS1RKDM4EMAPK1HIF1ANPC1
SCHEMBL13411703 0.90 KDM4E (0.43) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL16197865 0.81 CYP2D6 (0.52) KDM4EMAPK1HIF1ANPC1MTNR1A
SCHEMBL2246543 0.79
SCHEMBL3459825 0.78
SCHEMBL5206473 0.78
SCHEMBL6636080 0.78
SCHEMBL15835816 0.78
SCHEMBL16015603 0.78
SCHEMBL12070548 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
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 KISS1R 4649/4885KDM4E 3256/4885MAPK1 2930/4885

“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.