SCHEMBL5449651

SCHEMBL5449651

C[C@@H]1CN(C(=O)CCc2ccc(OC(F)(F)F)cc2)C[C@H](C)N1S(=O)(=O)c1cccc2c1CC(C(=O)O)C2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.72
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GPBAR1 Q8TDU6 4/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
KCNH2 Q12809 2/20 0.38
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
NOTUM Q6P988 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5449650 1.00 PPARD (0.72) PPARDKDM4EKMT2AALDH1A1GPBAR1
SCHEMBL5446937 0.92 PPARD (0.74) PPARDALDH1A1DRD2DRD4KCNH2
SCHEMBL5446942 0.92 PPARD (0.74) PPARDALDH1A1DRD2DRD4KCNH2
SCHEMBL5462337 0.89 PPARD (0.75) PPARDALDH1A1DRD2DRD4KCNH2
SCHEMBL5462342 0.89 PPARD (0.75) PPARDALDH1A1DRD2DRD4KCNH2
SCHEMBL5448620 0.88 PPARD (0.73) PPARDALDH1A1DRD2DRD4KCNH2
SCHEMBL5448615 0.88 PPARD (0.73) PPARDALDH1A1DRD2DRD4KCNH2
SCHEMBL2070436 0.86 PPARD (0.76) PPARDALDH1A1DRD2DRD4CHRM2
SCHEMBL1470426 0.86 PPARD (0.76) PPARDALDH1A1DRD2DRD4CHRM2
SCHEMBL2070440 0.86 PPARD (0.76) PPARDALDH1A1DRD2DRD4CHRM2

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 1/4885KDM4E 2790/4885KMT2A 3154/4885

“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.