SCHEMBL3023787

SCHEMBL3023787

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.39
PTGS1 P23219 5/20 0.39
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
CNR2 P34972 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MT-CO1 P00395 1/20 0.34
MT-CO2 P00403 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HIF1A Q16665 1/20 0.34
EPAS1 Q99814 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
SCHEMBL3027541 0.85 PTGS2 (0.43) PTGS2PTGS1RARARARBRARG
SCHEMBL3027431 0.80 NPC1 (0.40) RARARARBRARGCNR2KDM4E
SCHEMBL12082011 0.79 RARA (0.46) RARARARBRARGCNR2
SCHEMBL3027979 0.78 NR3C2 (0.49) PTGS2RARARARBRARGCYP1A2
SCHEMBL27789199 0.78 CNR2 (0.40) PTGS2PTGS1RARARARBRARG
SCHEMBL3023515 0.78 RARA (0.38) RARARARBRARGKDM4E
SCHEMBL3030838 0.78 KDM4E (0.41) RARARARBRARGKDM4EHPGD
SCHEMBL3029291 0.77 PPARG (0.39) PTGS2PTGS1RARARARBRARG
SCHEMBL14666717 0.77 RARA (0.38) PTGS2PTGS1RARARARBRARG
SCHEMBL3032766 0.77 PTGS2 (0.37) PTGS2PTGS1CNR2

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 8 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-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 PTGS2 1372/4885PTGS1 1007/4885RARA 534/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R PTGS2 1072/4885PTGS1 898/4885RARA 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.