SCHEMBL4113695

SCHEMBL4113695

Oc1cccc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CCR1 P32246 11/20 0.50
▸ NR3C1 P04150 6/20 0.50
▸ PGR P06401 2/20 0.50
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42

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
SCHEMBL5136968 0.89 CYP17A1 (0.49) CYP17A1CYP1A2CCR1NR3C1PGR
SCHEMBL2006806 0.87 NR3C1 (0.42) CYP17A1CYP1A2CCR1NR3C1PGR
SCHEMBL27799392 0.85 CYP1A2 (0.51) CYP17A1CYP1A2CCR1NR3C1CYP11B1
SCHEMBL19051717 0.84 CYP17A1 (0.45) CYP17A1CYP1A2NR3C1CYP11B1CYP11B2
SCHEMBL25274445 0.83 XDH (0.47) CCR1NR3C1PGRCYP11B1CYP11B2
SCHEMBL30481229 0.83 XDH (0.47) CCR1NR3C1PGRCYP11B1CYP11B2
SCHEMBL2008964 0.83 CYP11B1 (0.45) CYP17A1CYP1A2CCR1NR3C1PGR
SCHEMBL303982 0.82 CYP17A1 (0.56) CYP17A1CYP1A2CCR1NR3C1PGR
SCHEMBL2006080 0.81 CYP11B2 (0.46) CYP17A1CYP1A2CCR1NR3C1PGR
SCHEMBL441028 0.81 CYP1A2 (0.54) CYP17A1CYP1A2CCR1NR3C1PGR

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-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases ASTRAZENECA AB (SE) 2009-05-14 — — US disclosed
CN-101291914-A Novel bicyclic sulfonamides for use as glucocorticoid receptor modulators in the treatment of inflammatory diseases ASTRAZENECA AB (SE) 2008-10-22 — — CN disclosed
EP-1940800-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES Astra Zeneca AB (SE) 2008-07-09 — — EP disclosed
WO-2007046747-A1 NOVEL BICYCLIC SULFONAMIDES FOR USE AS GLUCOCORTICOID RECEPTOR MODULATORS IN THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2007-04-26 — — 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-20090124607-A1 Novel Bicyclic Sulfonamides for Use as Glucocorticoid Receptor Modulators in the Treatment of Inflammatory Diseases NR3C1, NR3C2, MC2R CYP17A1 151/4885CYP1A2 579/4885CCR1 275/4885

“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.

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