SCHEMBL3029090

SCHEMBL3029090

CCC1(CC)Oc2cc(NS(C)(=O)=O)ccc2C(c2ccc(F)cc2)=C1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.43
KIT P10721 2/20 0.38
NR3C1 P04150 2/20 0.37
PGR P06401 1/20 0.37
AR P10275 1/20 0.36
TNIK Q9UKE5 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MAP2K4 P45985 1/20 0.35
BRD4 O60885 1/20 0.35
PTGS2 P35354 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
SCHEMBL3023280 0.85 NR3C2 (0.41) NR3C2KITNR3C1PGRAR
SCHEMBL14666710 0.84
SCHEMBL3012069 0.82 NR3C2 (0.53) NR3C2KITNR3C1PGRAR
SCHEMBL3027006 0.79 NR3C2 (0.55) NR3C2KITNR3C1PGRAR
SCHEMBL12081758 0.78 NR3C2 (0.44) NR3C2KITNR3C1PGRAR
SCHEMBL3031327 0.78 NR3C2 (0.54) NR3C2KITNR3C1PGRAR
SCHEMBL12081735 0.77 NR3C2 (0.50) NR3C2KITNR3C1PGRAR
SCHEMBL3027462 0.75 NR3C2 (0.43) NR3C2KITNR3C1PGRAR
SCHEMBL3027754 0.74 NR3C2 (0.45) NR3C2KITNR3C1PGRAR
SCHEMBL3018659 0.74 NR3C2 (0.53) NR3C2KITNR3C1PGRAR

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 12 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-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 1/4885KIT 988/4885NR3C1 2/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R NR3C2 1/4885KIT 859/4885NR3C1 2/4885

“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.