SCHEMBL4123716

SCHEMBL4123716

COc1cccc2c1cnn2-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.55
CYP1A2 P05177 2/20 0.55
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
NR3C1 P04150 6/20 0.48
CCR1 P32246 6/20 0.47
SLC2A1 P11166 2/20 0.47
SLC2A3 P11169 2/20 0.47
MAP4K1 Q92918 1/20 0.45
SLC2A2 P11168 1/20 0.44
POLB P06746 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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 0.92 CYP17A1 (0.49) CYP17A1CYP1A2ALDH1A1L3MBTL1NR3C1
SCHEMBL14085859 0.83 CYP11B1 (0.46) CYP17A1CYP1A2ALDH1A1L3MBTL1NR3C1
SCHEMBL27871112 0.82 CYP17A1 (0.50) CYP17A1CYP1A2NR3C1CCR1
SCHEMBL303982 0.80 CYP17A1 (0.56) CYP17A1CYP1A2NR3C1CCR1CYP11B1
SCHEMBL4113075 0.79 NR3C1 (0.59) CYP17A1CYP1A2ALDH1A1NR3C1CCR1
SCHEMBL5140930 0.79 NR3C1 (0.59) CYP17A1CYP1A2ALDH1A1NR3C1CCR1
SCHEMBL4113695 0.78 CYP17A1 (0.54) CYP17A1CYP1A2NR3C1CCR1CYP11B1
SCHEMBL443587 0.78 CYP1A2 (0.54) CYP17A1CYP1A2NR3C1CCR1
SCHEMBL441028 0.78 CYP1A2 (0.54) CYP17A1CYP1A2ALDH1A1L3MBTL1NR3C1
SCHEMBL1135667 0.78 CCR1 (0.66) CYP17A1CYP1A2NR3C1CCR1CYP11B1

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 3 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
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 579/4885ALDH1A1 2378/4885

“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.