SCHEMBL257133

SCHEMBL257133

CCOc1nc(C)c(C)s1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.39
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ELANE P08246 1/20 0.34
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL26847416 0.83 ELANE (0.37) NOS1KDM4EELANEMAPTPTGS1
SCHEMBL19256889 0.78 PTGS1 (0.35) KDM4EMAPK1HSD17B10MAPTPTGS1
SCHEMBL10435591 0.74 ALDH1A1 (0.35) KDM4EMAPK1HSD17B10
SCHEMBL11577322 0.72 TP53 (0.35) KDM4EMAPK1HSD17B10MAPT
SCHEMBL27748702 0.71
SCHEMBL9957284 0.71 ALDH1A1 (0.39) KDM4EHSD17B10MAPT
SCHEMBL27872985 0.67 NOS1 (0.38) NOS1
Hydrogen Sulfide SCHEMBL27996935 0.65 CA12 (0.32) KDM4EMAPK1HSD17B10
SCHEMBL27970991 0.65 NOS1 (0.37) NOS1KDM4EMAPT
SCHEMBL11337612 0.65 GAA (0.53) KDM4EMAPK1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
US-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS NOVARTIS AG (CH) 2023-11-16 US disclosed
EP-2611801-B1 HERBICIDALLY EFFECTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER IP GMBH (DE) 2016-05-04 EP disclosed
US-9101133-B2 Phenyl-substituted bicyclooctane-1,3-dione-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-11 US disclosed
US-9101133-B2 Phenyl-substituted bicyclooctane-1,3-dione-derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-11 US disclosed
WO-2012028582-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 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 (2 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-20230365571-A1 COMPOUNDS AND COMPOSITIONS AS Sppl2a INHIBITORS SPPL2A, SPPL2B, BACE1 NOS1 4383/4885KDM4E 4701/4885MAPK1 1689/4885
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 NOS1 2188/4885KDM4E 525/4885MAPK1 1476/4885

“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.