SCHEMBL6079165

SCHEMBL6079165

CCC(CCCNC(=O)O)SC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
USP2 O75604 2/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
OTC P00480 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
PAOX Q6QHF9 1/20 0.31
ADRA1A P35348 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6078033 0.90 PAOX (0.34) MEN1KMT2AGAAKDM4EMAPK1
SCHEMBL31578836 0.74 GPR84 (0.44)
SCHEMBL2404276 0.72
SCHEMBL23901022 0.72 CYP2D6 (0.41) MEN1KMT2AGAAUSP2CYP2D6
SCHEMBL3856822 0.72 GPR84 (0.38) MEN1KMT2AGAAUSP2CYP2D6
SCHEMBL22590038 0.71 MEN1 (0.36) MEN1KMT2AGAAKDM4EMAPK1
SCHEMBL6079108 0.70 EPHX2 (0.37) GAACYP2D6TSHR
SCHEMBL6720432 0.69 CYP2D6 (0.52) MEN1KMT2AGAAKDM4EMAPK1
SCHEMBL2846868 0.67 ALDH1A1 (0.48) MEN1KMT2AGAAKDM4EMAPK1
SCHEMBL3664544 0.67 MEN1 (0.40) MEN1KMT2AKDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119109-B2 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2006-10-10 US disclosed
US-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-11-04 US disclosed
EP-1421067-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003011831-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 WO 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-20040220234-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS2, NOS1 MEN1 4649/4885KMT2A 1099/4885GAA 2014/4885

“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.