SCHEMBL3023563

SCHEMBL3023563

CC1(C)Oc2cc(NS(C)(=O)=O)ccc2C(c2ccccc2)=C1Br

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.42
BRD4 O60885 1/20 0.41
CYP17A1 P05093 1/20 0.41
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
KEAP1 Q14145 1/20 0.39
NR3C1 P04150 2/20 0.38
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
TDP2 O95551 1/20 0.37
MET P08581 2/20 0.36
ADRA1B P35368 2/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL3024775 0.83 NR3C2 (0.42) NR3C2BRD4CYP17A1AURKAKDR
SCHEMBL12081736 0.78 CYP17A1 (0.43) NR3C2BRD4CYP17A1AURKAKDR
SCHEMBL3016974 0.77 NR3C2 (0.39) NR3C2BRD4CYP17A1NR3C1ADRA1D
SCHEMBL3023557 0.77 NR3C2 (0.46) NR3C2BRD4CYP17A1ADRA1DADRA1A
SCHEMBL3027006 0.76 NR3C2 (0.55) NR3C2BRD4NR3C1PGRAR
SCHEMBL3031327 0.75 NR3C2 (0.54) NR3C2BRD4NR3C1PGRAR
SCHEMBL12081775 0.75 CYP17A1 (0.45) NR3C2BRD4CYP17A1AURKAKDR
SCHEMBL12081735 0.74 NR3C2 (0.50) NR3C2BRD4NR3C1PGRAR
SCHEMBL3029090 0.74 NR3C2 (0.43) NR3C2BRD4NR3C1PGRAR
SCHEMBL14666705 0.74 MAOB (0.31)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2179994-B1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-26 EP disclosed
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US disclosed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US disclosed
US-8258131-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US disclosed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 EP 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 (2 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-20130029979-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R NR3C2 1/4885BRD4 112/4885CYP17A1 247/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R NR3C2 1/4885BRD4 105/4885CYP17A1 184/4885

“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.