SCHEMBL5457438

SCHEMBL5457438

O=C(O)C1Cc2cccc(S(=O)(=O)N3CCN(C(=O)c4ccc(OC(F)(F)F)cc4)CC3)c2C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.60
HSD11B1 P28845 2/20 0.45
MGLL Q99685 3/20 0.45
EPHX2 P34913 2/20 0.45
MMP13 P45452 3/20 0.44
MMP2 P08253 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CACNA1B Q00975 1/20 0.44
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SCN9A Q15858 1/20 0.42
LIPE Q05469 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5450621 0.88 PPARD (0.64) PPARDEPHX2MMP13MMP2MEN1
SCHEMBL1470322 0.87 PPARD (0.72) PPARDMMP13MMP2LIPE
SCHEMBL5462331 0.86 PPARD (0.57) PPARDMMP13MMP2HRH3LIPE
SCHEMBL5456865 0.85 PPARD (0.56) PPARDEPHX2MMP13MMP2LIPE
SCHEMBL5460017 0.84 PPARD (0.77) PPARDHSD11B1MGLLEPHX2MMP13
SCHEMBL5460011 0.84 PPARD (0.77) PPARDHSD11B1MGLLEPHX2MMP13
SCHEMBL1470522 0.84 PPARD (0.59) PPARDMMP13MMP2LIPE
SCHEMBL5450403 0.83 PPARD (0.57) PPARDMMP13MMP2MEN1KMT2A
SCHEMBL12749891 0.82 PPARD (0.61) PPARDMMP13MMP2
SCHEMBL5455683 0.81 PPARD (0.56) PPARDMMP13MMP2MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007137098-A2 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-29 WO disclosed
WO-2007137098-A2 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-29 WO disclosed
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 US disclosed
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 US disclosed
US-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2007-11-22 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-20070270434-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARD, PPARG, PPARA PPARD 1/4885HSD11B1 658/4885MGLL 377/4885

“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.