SCHEMBL3026326

SCHEMBL3026326

CC1(C)N=C(c2ccc(Cl)c(F)c2)c2ccc(NS(C)(=O)=O)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.39
NR3C2 P08235 5/20 0.38
KIF11 P52732 2/20 0.37
HAVCR2 Q8TDQ0 1/20 0.37
KIT P10721 3/20 0.36
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
PTGES O14684 1/20 0.34

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
SCHEMBL12081721 0.92 KIF11 (0.39) CYP17A1NR3C2KIF11HAVCR2KIT
SCHEMBL3022634 0.91 CYP17A1 (0.45) CYP17A1NR3C2KIF11HAVCR2GAA
SCHEMBL12081699 0.90 GLO1 (0.40) NR3C2KIF11KITADRA1DADRA1A
SCHEMBL3027015 0.88 NR3C2 (0.39) CYP17A1NR3C2KIF11KITADRA1A
SCHEMBL3025036 0.86 NR3C2 (0.48) NR3C2KITBRD4HPGDMAPK1
SCHEMBL3017159 0.86 KIF11 (0.49) CYP17A1NR3C2KIF11BRD4GAA
SCHEMBL12081722 0.84 KIF11 (0.46) CYP17A1NR3C2KIF11KIT
SCHEMBL3011521 0.83 NR3C2 (0.39) CYP17A1NR3C2KIF11HAVCR2KIT
SCHEMBL12081777 0.83 BRD4 (0.45) CYP17A1NR3C2HAVCR2KITBRD4
SCHEMBL14666678 0.83 PTGES (0.33) HPGDPTGES

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 12 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 claimed
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-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 CYP17A1 247/4885NR3C2 1/4885KIF11 2363/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R CYP17A1 184/4885NR3C2 1/4885KIF11 2908/4885

“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.