SCHEMBL3011529

SCHEMBL3011529

CC1(C)Oc2cc(NS(C)(=O)=O)ccc2C(c2ccc(Cl)cc2)=C1C#N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
NR3C2 P08235 3/20 0.41
PGR P06401 5/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
NR3C1 P04150 3/20 0.36
PTGS2 P35354 4/20 0.36
AR P10275 1/20 0.36
MET P08581 1/20 0.35
BRD4 O60885 1/20 0.35
ATIC P31939 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
DRD3 P35462 1/20 0.34
HTR6 P50406 1/20 0.34
TDP2 O95551 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
SCHEMBL3018659 0.89 NR3C2 (0.53) NR3C2PGRNR3C1PTGS2AR
SCHEMBL3024775 0.89 NR3C2 (0.42) NR3C2PGRNR3C1BRD4TDP2
SCHEMBL3023085 0.88 CYP17A1 (0.40) KIF11NR3C2PGRNR3C1PTGS2
SCHEMBL3023095 0.87 NR3C2 (0.42) KIF11NR3C2PGRNR3C1PTGS2
SCHEMBL3023334 0.86 NR3C2 (0.38) KIF11NR3C2PGRNR3C1MET
SCHEMBL14666706 0.83 KDM4E (0.30)
SCHEMBL15049872 0.77 MAOB (0.32)
SCHEMBL3011515 0.77 NR3C2 (0.46) NR3C2PGRBRD4
SCHEMBL3023280 0.76 NR3C2 (0.41) NR3C2PGRNR3C1PTGS2AR
SCHEMBL3011701 0.76 NR3C2 (0.45) KIF11NR3C2PGRPTGS2BRD4

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 13 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
US-8410166-B2 Fused bicyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-04-02 US claimed
US-20130029979-A1 FUSED BICYCLIC COMPOUND TAKAHASHI YOICHI (JP) 2013-01-31 US claimed
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US claimed
EP-2179994-A1 FUSED BICYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-28 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-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 KIF11 2363/4885NR3C2 1/4885PGR 153/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R KIF11 2908/4885NR3C2 1/4885PGR 215/4885

“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.