SCHEMBL3017241

SCHEMBL3017241

CC1(C)C=C(OS(=O)(=O)C(F)(F)F)c2ccc(O[Si](C)(C)C(C)(C)C)cc2O1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 2/20 0.33
HSD11B1 P28845 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PREP P48147 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL3025597 0.86 PPARA (0.34) CA12CA1CA9PPARAHSD11B1
SCHEMBL17049520 0.86 LMNA (0.33) PPARGPPARACHRM1DRD2DRD4
SCHEMBL3029917 0.82
SCHEMBL17026898 0.81 CA1 (0.33) CA1CA9PPARGPPARAALDH1A1
SCHEMBL14666735 0.80 RARA (0.33) LMNAALDH1A1CNR2
SCHEMBL17026999 0.79 PPARG (0.36) CA1CA9PPARGPPARA
SCHEMBL17141512 0.79 PREP (0.36) CA12CA1CA9HSD11B1CHRM1
SCHEMBL12049961 0.77 SCD5 (0.36)
SCHEMBL14162088 0.76 CHRM1 (0.35) CHRM1DRD2DRD4DRD3ALDH1A1
SCHEMBL27788934 0.76 PPARA (0.43) CA1PPARGPPARAHSD11B1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS LUPIN LIMITED (IN) 2017-05-18 US disclosed
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-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
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 (3 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 CA12 2422/4885CA1 1919/4885CA9 1917/4885
US-20100204218-A1 FUSED BICYCLIC COMPOUND NR3C2, NR3C1, MC2R CA12 2031/4885CA1 1638/4885CA9 1607/4885
US-20170137415-A1 SULFONAMIDE COMPOUNDS AS VOLTAGE GATED SODIUM CHANNEL MODULATORS SCN7A, SCN1A, SCN5A CA12 2582/4885CA1 1735/4885CA9 1430/4885

“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.