SCHEMBL4123094

SCHEMBL4123094

CC(CCc1cccc2c1cnn2-c1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.56
CCR1 P32246 12/20 0.47
SCN9A Q15858 1/20 0.46
PGR P06401 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 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
SCHEMBL27721784 1.00 NR3C1 (0.56) NR3C1CCR1SCN9APGRCYP3A4
SCHEMBL4122908 0.86 NR3C1 (0.65) NR3C1CCR1PGRCYP3A4CYP2C9
SCHEMBL4122911 0.86 NR3C1 (0.65) NR3C1CCR1PGRCYP3A4CYP2C9
SCHEMBL4784046 0.82 SMO (0.57) NR3C1PGR
SCHEMBL27721785 0.81 NR3C1 (0.52) NR3C1CCR1
Trifluoroacetic Acid SCHEMBL4126266 0.77 NR3C1 (0.53) NR3C1CCR1
SCHEMBL4114024 0.76 NR3C1 (0.58) NR3C1CCR1PGRCYP3A4CYP2C9
SCHEMBL5137509 0.76 NR3C1 (0.58) NR3C1CCR1PGRCYP3A4CYP2C9
SCHEMBL4118844 0.74 NR3C1 (0.50) NR3C1CCR1
SCHEMBL4118839 0.74 NR3C1 (0.50) NR3C1CCR1

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 NR3C1 1/4885CCR1 275/4885SCN9A 985/4885

“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.