SCHEMBL3018663

SCHEMBL3018663

CC1(C)Oc2cc(NS(C)(=O)=O)cc(F)c2C(c2ccc(F)cc2)=C1C#N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.47
BRD4 O60885 3/20 0.36
PGR P06401 3/20 0.35
AR P10275 2/20 0.35
ADORA1 P30542 1/20 0.35
KIT P10721 3/20 0.34
KIF11 P52732 1/20 0.33
NR3C1 P04150 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL3016915 0.91 NR3C2 (0.46) NR3C2BRD4PGRADORA1KIT
SCHEMBL3011701 0.90 NR3C2 (0.45) NR3C2BRD4PGRADORA1KIT
SCHEMBL14822873 0.84 BRD4 (0.33) NR3C2BRD4PGRNR3C1
SCHEMBL3018659 0.84 NR3C2 (0.53) NR3C2BRD4PGRARADORA1
SCHEMBL12085073 0.83 NR3C2 (0.31) NR3C2
SCHEMBL14666721 0.83 NR3C2 (0.31) NR3C2PGRAR
SCHEMBL3023124 0.76 NR3C2 (0.47) NR3C2BRD4KITPTGS2
SCHEMBL12081744 0.75 NR3C2 (0.47) NR3C2BRD4KIF11PTGS2
SCHEMBL12081751 0.75 NR3C2 (0.43) NR3C2BRD4PGRKITKIF11
SCHEMBL3026781 0.74 NR3C2 (0.46) NR3C2BRD4KITKIF11PTGS2

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 9 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-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 1/4885BRD4 112/4885PGR 153/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R NR3C2 1/4885BRD4 105/4885PGR 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.