SCHEMBL3029664

SCHEMBL3029664

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
PTGS2 P35354 3/20 0.32
PPARG P37231 2/20 0.30
PTGS1 P23219 2/20 0.30
PPARA Q07869 2/20 0.30
PPARD Q03181 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL3029231 0.89 RARA (0.34) ADORA2AADORA1RARARARBRARG
SCHEMBL3016905 0.82 PPARG (0.42) RARARARBRARGPTGS2PPARG
SCHEMBL3016930 0.81 ADORA2A (0.35) ADORA2AADORA1PTGS2
SCHEMBL14666755 0.80 BRD4 (0.33) PTGS2PPARGPPARAPPARD
SCHEMBL3022649 0.77 PPARG (0.41) ADORA2AADORA1RARARARBRARG
SCHEMBL3018448 0.77 NR3C2 (0.42) PTGS2
SCHEMBL3027400 0.76 ADORA2A (0.34) ADORA2AADORA1PPARGPPARA
SCHEMBL27810639 0.75
SCHEMBL12081954 0.74 PPARG (0.41) RARARARBRARGPTGS2PPARG
SCHEMBL14670458 0.73 BRD4 (0.32) RARARARBRARG

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 ADORA2A 548/4885ADORA1 459/4885RARA 534/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R ADORA2A 545/4885ADORA1 465/4885RARA 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.