SCHEMBL3027979

SCHEMBL3027979

CC1(C)C=C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.49
KIT P10721 2/20 0.41
BRD4 O60885 1/20 0.40
NR3C1 P04150 2/20 0.39
PGR P06401 1/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
AR P10275 1/20 0.38
TNIK Q9UKE5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
MAP2K4 P45985 1/20 0.38
PTGS2 P35354 2/20 0.37

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
SCHEMBL3027440 0.88 KIF11 (0.50) NR3C2BRD4NR3C1RARARARB
SCHEMBL12081736 0.88 CYP17A1 (0.43) NR3C2BRD4NR3C1PGRRARA
SCHEMBL3023109 0.87 KIF11 (0.53) NR3C2RARARARBRARG
SCHEMBL12081756 0.85 NR3C2 (0.39) NR3C2KITBRD4PGRRARA
SCHEMBL12081758 0.85 NR3C2 (0.44) NR3C2KITBRD4NR3C1PGR
SCHEMBL12081862 0.84 NR3C2 (0.48) NR3C2KITNR3C1PGRAR
SCHEMBL3019466 0.83 NR3C2 (0.43) NR3C2KITBRD4ALDH1A1CYP1A2
SCHEMBL13214224 0.83 RARA (0.39) NR3C2BRD4RARARARBRARG
SCHEMBL12081751 0.82 NR3C2 (0.43) NR3C2KITBRD4NR3C1PGR
SCHEMBL14670256 0.82 RARA (0.40) NR3C2BRD4RARARARBRARG

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 6 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-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 988/4885BRD4 112/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R NR3C2 1/4885KIT 859/4885BRD4 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.