SCHEMBL3016915

SCHEMBL3016915

Cc1cc(NS(C)(=O)=O)cc2c1C(c1ccc(F)cc1)=C(C#N)C(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.46
TNIK Q9UKE5 2/20 0.36
BRD4 O60885 2/20 0.36
ADORA1 P30542 1/20 0.35
KIT P10721 2/20 0.34
PTGS2 P35354 2/20 0.32
ABL1 P00519 1/20 0.32
MAP2K4 P45985 1/20 0.32
PGR P06401 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 0.91 NR3C2 (0.47) NR3C2BRD4ADORA1KITPTGS2
SCHEMBL3011701 0.89 NR3C2 (0.45) NR3C2BRD4ADORA1KITPTGS2
SCHEMBL3023124 0.86 NR3C2 (0.47) NR3C2TNIKBRD4KITPTGS2
SCHEMBL3026781 0.84 NR3C2 (0.46) NR3C2TNIKBRD4KITPTGS2
SCHEMBL14666716 0.83 NR3C2 (0.30) NR3C2
SCHEMBL3018659 0.83 NR3C2 (0.53) NR3C2BRD4ADORA1KITPTGS2
SCHEMBL15049811 0.78 NR3C2 (0.31) NR3C2
SCHEMBL3017143 0.75 NR3C2 (0.43) NR3C2TNIKBRD4KITPTGS2
SCHEMBL14822873 0.75 BRD4 (0.33) NR3C2BRD4PGR
SCHEMBL12081744 0.74 NR3C2 (0.47) NR3C2BRD4PTGS2MAP2K4

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
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-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 1/4885TNIK 4811/4885BRD4 112/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R NR3C2 1/4885TNIK 4770/4885BRD4 105/4885

“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.