SCHEMBL3011701

SCHEMBL3011701

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.45
BRD4 O60885 2/20 0.37
ADORA1 P30542 1/20 0.36
SCN9A Q15858 1/20 0.34
KIT P10721 2/20 0.33
PTGS2 P35354 2/20 0.33
PGR P06401 1/20 0.33
KIF11 P52732 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL3018663 0.90 NR3C2 (0.47) NR3C2BRD4ADORA1KITPTGS2
SCHEMBL3016915 0.89 NR3C2 (0.46) NR3C2BRD4ADORA1KITPTGS2
SCHEMBL12081744 0.86 NR3C2 (0.47) NR3C2BRD4SCN9APTGS2KIF11
SCHEMBL14822882 0.85 BRD4 (0.33) NR3C2BRD4
SCHEMBL14666722 0.84 BRD4 (0.30) NR3C2BRD4
SCHEMBL3018659 0.82 NR3C2 (0.53) NR3C2BRD4ADORA1KITPTGS2
SCHEMBL3023095 0.77 NR3C2 (0.42) NR3C2BRD4ADORA1PTGS2PGR
SCHEMBL3011529 0.76 KIF11 (0.45) NR3C2BRD4PTGS2PGRKIF11
SCHEMBL3018448 0.76 NR3C2 (0.42) NR3C2BRD4SCN9AKITPTGS2
SCHEMBL3030497 0.75 NR3C2 (0.41) NR3C2BRD4SCN9AKITPTGS2

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 11 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-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 NR3C2 1/4885BRD4 112/4885ADORA1 459/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R NR3C2 1/4885BRD4 105/4885ADORA1 465/4885

“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.