SCHEMBL3023710

SCHEMBL3023710

CC1(C)C=C(c2ccc(Cl)cn2)c2ccc(NS(C)(=O)=O)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.38
CYP17A1 P05093 4/20 0.38
MAPK10 P53779 1/20 0.37
KIF11 P52732 1/20 0.36
NR3C2 P08235 3/20 0.36
KDM1A O60341 3/20 0.36
MAOA P21397 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
SMO Q99835 1/20 0.34
NR3C1 P04150 1/20 0.34
BACE1 P56817 1/20 0.34
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 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
SCHEMBL3019466 0.87 NR3C2 (0.43) CYP17A1MAPK10NR3C2KDM1A
SCHEMBL14670425 0.84 BACE1 (0.31) BACE1
SCHEMBL3027440 0.83 KIF11 (0.50) METCYP17A1KIF11NR3C2NR3C1
SCHEMBL3030847 0.81 CYP17A1 (0.42) CYP17A1KIF11NR3C2NR3C1GAA
SCHEMBL12081694 0.81 NR3C2 (0.40) CYP17A1KIF11NR3C2ADRA1ANR3C1
SCHEMBL14666740 0.79 RARA (0.35) BACE1
SCHEMBL3016974 0.79 NR3C2 (0.39) METCYP17A1MAPK10KIF11NR3C2
SCHEMBL3019184 0.78 KDM4E (0.37) KDM1A
SCHEMBL3023334 0.78 NR3C2 (0.38) METCYP17A1MAPK10KIF11NR3C2
SCHEMBL12081951 0.76 PPARG (0.37)

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 10 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-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
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 MET 244/4885CYP17A1 247/4885MAPK10 727/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R MET 203/4885CYP17A1 184/4885MAPK10 684/4885

“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.