SCHEMBL10137873

SCHEMBL10137873

CCCn1cnc(CC(C)C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 18/20 0.64
CPB1 P15086 9/20 0.64
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
CPA1 P15085 1/20 0.36

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
SCHEMBL10583023 0.84 CPB2 (0.64) CPB2CPB1KDM5AKDM5B
SCHEMBL6328167 0.84 CPB2 (0.64) CPB2CPB1KDM5AKDM5B
SCHEMBL16508840 0.81 CYP2C9 (0.44) CPB2CPB1
SCHEMBL15601885 0.81 CYP2C9 (0.44) CPB2CPB1
SCHEMBL3839535 0.79 CPB2 (1.00) CPB2CPB1KDM5AKDM5B
SCHEMBL6268747 0.79 CPB2 (1.00) CPB2CPB1KDM5AKDM5B
SCHEMBL6499163 0.79 CPB2 (0.69) CPB2CPB1KDM5AKDM5B
SCHEMBL19508749 0.78 TRHDE (0.50) CPB2CPB1KDM5AKDM5B
SCHEMBL8345425 0.78 CPB2 (0.55) CPB2CPB1KDM5AKDM5B
SCHEMBL20441237 0.78 CPB2 (0.66) CPB2CPB1KDM5AKDM5BCPA1

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
US-20240216414-A1 Antiviral Agents and Nucleoside Analogs for Treatment of Zika Virus UNIV EMORY (US) 2024-07-04 US disclosed
US-9809616-B2 Pyrimidine nucleosides and their monophosphate prodrugs for the treatment of viral infections and cancer EMORY UNIVERSITY (US) 2017-11-07 US disclosed
US-9173893-B2 Purine nucleoside monophosphate prodrugs for treatment of cancer and viral infections COCRYSTAL PHARMA, INC. (US) 2015-11-03 US disclosed
US-20140235566-A1 PYRIMIDINE NUCLEOSIDES AND THEIR MONOPHOSPHATE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS AND CANCER EMORY UNIVERSITY (US) 2014-08-21 US disclosed
US-20140066395-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-03-06 US disclosed
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 (4 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-20140235566-A1 PYRIMIDINE NUCLEOSIDES AND THEIR MONOPHOSPHATE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS AND CANCER PNP, TYMP, TK1 CPB2 1266/4885CPB1 1455/4885KDM5A 2754/4885
US-20140066395-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP CPB2 1610/4885CPB1 2213/4885KDM5A 2633/4885
US-20120040924-A1 PURINE NUCLEOSIDE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF CANCER AND VIRAL INFECTIONS PNP, HAVCR2, TYMP CPB2 1610/4885CPB1 2213/4885KDM5A 2633/4885
US-20240216414-A1 Antiviral Agents and Nucleoside Analogs for Treatment of Zika Virus SAMHD1, PNP, NUDT1 CPB2 2184/4885CPB1 1960/4885KDM5A 776/4885

“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.