SCHEMBL3029291

SCHEMBL3029291

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
RARA P10276 3/20 0.38
RARB P10826 3/20 0.38
RARG P13631 3/20 0.38
PPARA Q07869 1/20 0.37
MAOB P27338 1/20 0.35
HIF1A Q16665 6/20 0.34
EPAS1 Q99814 5/20 0.34
CNR2 P34972 1/20 0.33
MLNR O43193 1/20 0.32
CYP2D6 P10635 1/20 0.32
PTGS2 P35354 2/20 0.32
PTGS1 P23219 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
SCHEMBL14822713 0.91 RARA (0.36) PPARGRARARARBRARGPPARA
SCHEMBL14666658 0.84 MAOB (0.37) PPARGRARARARBRARGPPARA
SCHEMBL3030838 0.77 KDM4E (0.41) PPARGRARARARBRARGPPARA
SCHEMBL3023787 0.77 PTGS2 (0.39) RARARARBRARGHIF1AEPAS1
SCHEMBL12082011 0.76 RARA (0.46) PPARGRARARARBRARGMAOB
SCHEMBL3027979 0.75 NR3C2 (0.49) RARARARBRARGCYP2D6PTGS2
SCHEMBL3027541 0.75 PTGS2 (0.43) RARARARBRARGCNR2PTGS2
SCHEMBL3023515 0.75 RARA (0.38) PPARGRARARARBRARGPPARA
SCHEMBL3027431 0.75 NPC1 (0.40) PPARGRARARARBRARGHIF1A
SCHEMBL14666717 0.74 RARA (0.38) PPARGRARARARBRARGPPARA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204218-A1 FUSED BICYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-08-12 US 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 (1 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-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R PPARG 390/4885RARA 640/4885RARB 672/4885

“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.