SCHEMBL10137877

SCHEMBL10137877

CCCn1cnc(CC(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 10/20 0.52
▸ CPB1 P15086 4/20 0.50
▸ KDM5A P29375 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ USP2 O75604 1/20 0.35

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
SCHEMBL14790038 0.85 CPB2 (0.50) CPB2CPB1KDM5AKDM5BGRIN2D
SCHEMBL14551478 0.84 CPB2 (0.39) CPB2CPB1KDM4EALDH1A1USP2
SCHEMBL27803087 0.82 CPB2 (0.53) CPB2CPB1KDM5AKDM5BKDM4E
SCHEMBL3012492 0.81 CPB2 (0.52) CPB2CPB1KDM5AKDM5BGRIN2D
SCHEMBL13563916 0.80 CYP2C9 (0.46) KDM5BKDM4EALDH1A1USP2
SCHEMBL8865798 0.77 CDK5 (0.54) CPB2KDM5AKDM5BKDM4EALDH1A1
SCHEMBL31006001 0.77 KDM4E (0.37) CPB2CPB1KDM4EALDH1A1USP2
SCHEMBL8865591 0.76 CDK5 (0.42) KDM5AKDM5BALDH1A1USP2
SCHEMBL8348975 0.76 CPB2 (0.57) CPB2CPB1KDM5AKDM5BGRIN2D
SCHEMBL18098599 0.76 KDM4E (0.40) KDM5BKDM4EALDH1A1USP2

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-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2012-02-16 — — 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-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP CPB2 1610/4885CPB1 2213/4885KDM5A 2633/4885

“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.

Send feedback