SCHEMBL4120107

SCHEMBL4120107

Fc1ccc(-n2ncc3c(Br)c(F)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.45
CYP1A2 P05177 1/20 0.45
NR3C1 P04150 13/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PGR P06401 5/20 0.41
CCR1 P32246 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4128260 0.86 CYP1A2 (0.53) CYP17A1CYP1A2NR3C1ALDH1A1L3MBTL1
SCHEMBL441028 0.77 CYP1A2 (0.54) CYP17A1CYP1A2NR3C1ALDH1A1L3MBTL1
SCHEMBL18963839 0.76
SCHEMBL4114047 0.75 ALDH1A1 (0.42) CYP17A1CYP1A2ALDH1A1L3MBTL1KDM4E
SCHEMBL567717 0.74 CYP17A1 (0.45) CYP17A1CYP1A2NR3C1ALDH1A1L3MBTL1
SCHEMBL23115842 0.73 MAOB (0.36) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL29766049 0.73 MAOB (0.36) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL303982 0.72 CYP17A1 (0.56) CYP17A1CYP1A2NR3C1PGRCCR1
SCHEMBL2008499 0.71 MAPK14 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL3011613 0.71 NR3C1 (0.62) NR3C1PGR

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 579/4885NR3C1 1/4885

“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.