SCHEMBL5456865

SCHEMBL5456865

O=C(O)C1Cc2cccc(S(=O)(=O)N3CCN(C(=O)CCc4ccc(OC(F)(F)F)cc4)CC3)c2C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.56
PKM P14618 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR1 P21554 1/20 0.42
ENPP2 Q13822 2/20 0.42
ATXN2 Q99700 2/20 0.42
GPBAR1 Q8TDU6 4/20 0.41
POLB P06746 2/20 0.41
MMP2 P08253 1/20 0.41
MMP13 P45452 1/20 0.41
ROCK2 O75116 1/20 0.40
GPR183 P32249 1/20 0.39
KCNH2 Q12809 1/20 0.39
LIPE Q05469 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL5462331 0.91 PPARD (0.57) PPARDPKMALDH1A1LMNAGAA
SCHEMBL5450403 0.88 PPARD (0.57) PPARDALDH1A1MMP2MMP13KCNH2
SCHEMBL5455683 0.86 PPARD (0.56) PPARDALDH1A1MMP2MMP13LIPE
SCHEMBL1470522 0.86 PPARD (0.59) PPARDALDH1A1LMNAMMP2MMP13
SCHEMBL5449650 0.86 PPARD (0.72) PPARDPKMALDH1A1LMNAGAA
SCHEMBL5449651 0.86 PPARD (0.72) PPARDPKMALDH1A1LMNAGAA
SCHEMBL5457438 0.85 PPARD (0.60) PPARDGAAMMP2MMP13LIPE
SCHEMBL5450621 0.84 PPARD (0.64) PPARDALDH1A1LMNAGAASMN1; SMN2
SCHEMBL1470322 0.83 PPARD (0.72) PPARDALDH1A1MMP2MMP13LIPE
SCHEMBL5457021 0.79 CNR1 (0.57) PPARDPKMALDH1A1LMNAGAA

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 1/4885PKM 572/4885ALDH1A1 1775/4885

“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.