SCHEMBL4128260

SCHEMBL4128260

Cc1ccc2c(cnn2-c2ccc(F)cc2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
CYP17A1 P05093 3/20 0.53
NR3C1 P04150 11/20 0.48
PGR P06401 2/20 0.48
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 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
SCHEMBL4120107 0.86 CYP17A1 (0.45) CYP1A2CYP17A1NR3C1PGRALDH1A1
SCHEMBL441028 0.76 CYP1A2 (0.54) CYP1A2CYP17A1NR3C1PGRALDH1A1
SCHEMBL304064 0.76 NR3C1 (0.47) CYP1A2CYP17A1NR3C1PGRALDH1A1
SCHEMBL567717 0.73 CYP17A1 (0.45) CYP1A2CYP17A1NR3C1ALDH1A1L3MBTL1
SCHEMBL23634875 0.73 GRM7 (0.34) ALDH1A1
SCHEMBL1542061 0.73 NR3C1 (0.55) NR3C1PGR
SCHEMBL18963841 0.71 NPC1 (0.31)
SCHEMBL22225746 0.71 NR3C1 (0.74) NR3C1PGR
SCHEMBL24924163 0.71 NR3C1 (0.60) CYP1A2NR3C1PGRTSHRSMN1; SMN2
SCHEMBL303982 0.71 CYP17A1 (0.56) CYP1A2CYP17A1NR3C1PGR

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 CYP1A2 579/4885CYP17A1 151/4885NR3C1 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.