SCHEMBL3022649

SCHEMBL3022649

CC1(C)C=C(c2ccc(Cl)cc2)c2ccc(OS(=O)(=O)C(F)(F)F)cc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.41
PPARA Q07869 2/20 0.40
RARA P10276 3/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
CHRM1 P11229 2/20 0.37
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD11B1 P28845 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CNR2 P34972 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 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
SCHEMBL3016905 0.90 PPARG (0.42) PPARGPPARARARARARBRARG
SCHEMBL12082049 0.90 PPARG (0.47) PPARGPPARARARARARBRARG
SCHEMBL3030842 0.89 PPARG (0.47) PPARGPPARARARARARBRARG
SCHEMBL12081954 0.87 PPARG (0.41) PPARGPPARARARARARBRARG
SCHEMBL12082056 0.87 CHRM1 (0.39) PPARGPPARACHRM1DRD2DRD4
SCHEMBL12082364 0.87 CHRM1 (0.38) PPARGPPARARARARARBRARG
SCHEMBL12081951 0.84 PPARG (0.37) PPARGPPARARARARARBRARG
SCHEMBL27788934 0.79 PPARA (0.43) PPARGPPARACHRM1DRD2DRD4
SCHEMBL27789199 0.78 CNR2 (0.40) PPARGPPARARARARARBRARG
SCHEMBL14666747 0.78 MAOB (0.44) PPARGPPARARARARARBRARG

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 14 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
CN-101809005-B Fused bicyclic compound MITSUBISHI TANABE PHARMA CORP 2013-05-01 CN 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
CN-101809005-A Fused bicyclic compound MITSUBISHI TANABE PHARMA CORP 2010-08-18 CN 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 PPARG 323/4885PPARA 506/4885RARA 534/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R PPARG 390/4885PPARA 539/4885RARA 640/4885

“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.