SCHEMBL3023334

SCHEMBL3023334

CC1(C)Oc2cc(NS(C)(=O)=O)ccc2C(c2ccc(Cl)cn2)=C1C#N

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.38
MET P08581 2/20 0.36
CYP17A1 P05093 2/20 0.35
MAPK10 P53779 1/20 0.35
KIF11 P52732 1/20 0.34
KDM1A O60341 2/20 0.34
PGR P06401 1/20 0.34
MAOA P21397 1/20 0.34
BACE1 P56817 2/20 0.33
BRD4 O60885 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
F10 P00742 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
SGK1 O00141 1/20 0.33
TDP2 O95551 1/20 0.33
NR3C1 P04150 1/20 0.33

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
SCHEMBL3011515 0.89 NR3C2 (0.46) NR3C2MAPK10PGRBACE1BRD4
SCHEMBL3016974 0.86 NR3C2 (0.39) NR3C2METCYP17A1MAPK10KIF11
SCHEMBL3011529 0.86 KIF11 (0.45) NR3C2METKIF11PGRBRD4
SCHEMBL14670353 0.85 CYP3A4 (0.32) BACE1
SCHEMBL15062313 0.80 GRM5 (0.33) BACE1
SCHEMBL3024775 0.79 NR3C2 (0.42) NR3C2CYP17A1PGRBRD4HSP90AA1
SCHEMBL3023085 0.78 CYP17A1 (0.40) NR3C2CYP17A1KIF11PGRBRD4
SCHEMBL3023095 0.78 NR3C2 (0.42) NR3C2CYP17A1KIF11PGRBRD4
SCHEMBL3018659 0.78 NR3C2 (0.53) NR3C2PGRBRD4NR3C1
SCHEMBL3023710 0.78 MET (0.38) NR3C2METCYP17A1MAPK10KIF11

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 8 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-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
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 1/4885MET 244/4885CYP17A1 247/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R NR3C2 1/4885MET 203/4885CYP17A1 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.