SCHEMBL5455683

SCHEMBL5455683

O=C(O)C1Cc2cccc(S(=O)(=O)N3CCN(CCCc4ccc(OC(F)(F)F)cc4)CC3)c2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.56
MMP13 P45452 2/20 0.41
MMP2 P08253 1/20 0.41
ACHE P22303 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
LIPE Q05469 2/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
GRM2 Q14416 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
ADAM17 P78536 1/20 0.36

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
SCHEMBL5450403 0.95 PPARD (0.57) PPARDMMP13MMP2ACHELIPE
SCHEMBL1470522 0.89 PPARD (0.59) PPARDMMP13MMP2ACHELIPE
SCHEMBL5448615 0.86 PPARD (0.73) PPARDMMP13SIGMAR1DRD2DRD4
SCHEMBL5448620 0.86 PPARD (0.73) PPARDMMP13SIGMAR1DRD2DRD4
SCHEMBL5456865 0.86 PPARD (0.56) PPARDMMP13MMP2LIPEALDH1A1
SCHEMBL5450621 0.84 PPARD (0.64) PPARDMMP13MMP2LIPEALDH1A1
SCHEMBL5462331 0.84 PPARD (0.57) PPARDMMP13MMP2LIPEALDH1A1
SCHEMBL5462234 0.83 PPARD (0.43) PPARDMMP13MMP2SIGMAR1ALDH1A1
SCHEMBL1470322 0.83 PPARD (0.72) PPARDMMP13MMP2LIPEALDH1A1
SCHEMBL14362758 0.82 PPARD (0.53) PPARDDRD2DRD4CHRM2CHRM3

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 1/4885MMP13 3825/4885MMP2 4362/4885

“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.