SCHEMBL3018448

SCHEMBL3018448

CC1(C)C=C(c2ccc(F)cc2)c2c(Cl)cc(NS(C)(=O)=O)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.42
SCN9A Q15858 1/20 0.39
PTGS2 P35354 3/20 0.35
BRD4 O60885 2/20 0.35
KIF11 P52732 1/20 0.35
MAP2K4 P45985 1/20 0.34
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KIT P10721 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 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
SCHEMBL12081751 0.89 NR3C2 (0.43) NR3C2PTGS2BRD4KIF11MAP2K4
SCHEMBL3017143 0.88 NR3C2 (0.43) NR3C2PTGS2BRD4MAP2K4KIT
SCHEMBL14670458 0.83 BRD4 (0.32) BRD4
SCHEMBL3027979 0.81 NR3C2 (0.49) NR3C2PTGS2BRD4MAP2K4KIT
SCHEMBL12081744 0.80 NR3C2 (0.47) NR3C2SCN9APTGS2BRD4KIF11
SCHEMBL3030497 0.79 NR3C2 (0.41) NR3C2SCN9APTGS2BRD4MAP2K4
SCHEMBL3026831 0.78 NR3C2 (0.35) NR3C2SCN9APTGS2KITNR3C1
SCHEMBL3029664 0.77 ADORA2A (0.34) PTGS2
SCHEMBL3011701 0.76 NR3C2 (0.45) NR3C2SCN9APTGS2BRD4KIF11
SCHEMBL3026325 0.74 NR3C2 (0.37) NR3C2SCN9APTGS2KIF11MAP2K4

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 10 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-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 1/4885SCN9A 2403/4885PTGS2 1372/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R NR3C2 1/4885SCN9A 2549/4885PTGS2 1072/4885

“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.