SCHEMBL20518595

SCHEMBL20518595

NNC(=O)Cn1nnc(CCCNC(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.36
ATM Q13315 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.34
CNR2 P34972 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL20518665 0.96 PKM (0.37) PKMALDH1A1KDM4EUSP2ATM
SCHEMBL18839792 0.92 USP2 (0.40) PKMALDH1A1KDM4EUSP2ATM
SCHEMBL20518698 0.77 PKM (0.44) PKMALDH1A1KDM4EATMHSD17B10
SCHEMBL18839794 0.74 PKM (0.44) PKMALDH1A1KDM4EATMHSD17B10
SCHEMBL20518650 0.73 KDM4E (0.38) PKMALDH1A1KDM4E
SCHEMBL18839781 0.71 PKM (0.34) PKMALDH1A1ATMHSD17B10CNR2
SCHEMBL14966908 0.70 ATM (0.50) PKMALDH1A1KDM4EATMTP53
SCHEMBL20518621 0.69 KDM4E (0.37) PKMALDH1A1KDM4E
SCHEMBL18839753 0.68 KDM4E (0.39) PKMALDH1A1KDM4EUSP2ATM
SCHEMBL18839682 0.67 KDM4E (0.41) PKMALDH1A1KDM4EUSP2ATM

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-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS WOCKHARDT LIMITED (IN) 2018-10-04 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-20180282331-A1 7-Oxo -6-(sulfooxy)- 1,6-diazabicyclo [3.2.1] octane containing compounds and their use in treatment of bacterial infections (changed by PCT to: 7-OXO -6-(SULFOOXY)- 1,6-DIAZABICYCLO [3.2.1] OCTANE CONTAINING COMPOUNDS AND THEIR USE IN TREATMENT OF BACTERIAL INFECTIONS TST, THPO, STS PKM 3431/4885ALDH1A1 2258/4885KDM4E 4330/4885

“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.