SCHEMBL445887

SCHEMBL445887

CCC(NS(=O)(=O)C1CC1)(Oc1ccc2c(cnn2-c2cccnc2)c1)c1ccc(OC)nc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.39
SMO Q99835 3/20 0.38
CYP11B2 P19099 3/20 0.38
PGR P06401 2/20 0.38
CYP11B1 P15538 2/20 0.38
SCN2B O60939 1/20 0.34
SCN1B Q07699 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPK1 P28482 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
SCHEMBL2495837 0.91 NR3C1 (0.39) NR3C1SMOCYP11B2PGRCYP11B1
SCHEMBL442732 0.88 PDE10A (0.41) NR3C1SMOCYP11B2PGRCYP11B1
SCHEMBL442111 0.79 PDE10A (0.41) NR3C1CYP11B2PGRCYP11B1
SCHEMBL411372 0.76 NR3C1 (0.62) NR3C1PGR
SCHEMBL442589 0.73 PDE10A (0.41) NR3C1CYP11B2PGRCYP11B1
SCHEMBL411373 0.71 NR3C1 (0.64) NR3C1PGR
SCHEMBL413191 0.65 NR3C1 (0.53) NR3C1SMOCYP11B2PGRCYP11B1
SCHEMBL6281960 0.65 CYP11B2 (0.59) NR3C1SMOCYP11B2CYP11B1MAPK1
SCHEMBL411933 0.64 NR3C1 (0.60) NR3C1PGR
SCHEMBL6209189 0.63 CYP11B2 (0.53) NR3C1SMOCYP11B2CYP11B1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP claimed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US claimed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US claimed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US claimed
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-8030340-B2 Moderators of glucocorticoids receptor; antiinflamamtory agents; chronic obstructive pulmonary disease ASTRAZENECA AB (SE) 2011-10-04 US disclosed
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 US disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 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 (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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R NR3C1 1/4885SMO 1239/4885CYP11B2 5/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R NR3C1 1/4885SMO 1311/4885CYP11B2 5/4885

“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.