SCHEMBL3688161

SCHEMBL3688161

CCCn1cc(CC(=O)OC)c2ccc(O)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 2/20 0.47
GAA P10253 1/20 0.47
EGFR P00533 2/20 0.41
CDC25A P30304 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CNR2 P34972 2/20 0.39
SPR P35270 1/20 0.38
CNR1 P21554 1/20 0.38
HSP90AB1 P08238 1/20 0.38
AKR1C3 P42330 1/20 0.38
MCL1 Q07820 1/20 0.37
ESR1 P03372 1/20 0.37
HTR6 P50406 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL4471059 0.89 L3MBTL1 (0.45) ICMTKDM4EALDH1A1GAAEGFR
SCHEMBL2085331 0.84 KDM4E (0.51) ICMTKDM4EALDH1A1GLAGAA
SCHEMBL15747713 0.83 CDC25A (0.59) ICMTKDM4EALDH1A1GAAEGFR
SCHEMBL2003238 0.79 ALDH1A1 (0.49) ICMTKDM4EALDH1A1GLAGAA
SCHEMBL4477071 0.78 L3MBTL1 (0.46) KDM4EALDH1A1GLAGAAEGFR
SCHEMBL2686872 0.76 SPR (0.62) ICMTKDM4EALDH1A1GLAGAA
SCHEMBL15747750 0.75 CDC25A (0.67) ICMTKDM4EALDH1A1CDC25ACNR2
SCHEMBL21535335 0.74 CDC25A (0.73) ICMTCDC25ACNR2CNR1
SCHEMBL17102877 0.73 CDC25A (0.75) ICMTCDC25ACNR2CNR1
SCHEMBL15747719 0.73 CDC25A (0.75) ICMTCDC25ACNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 US disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
EP-1597248-B1 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS LILLY CO ELI (US) 2007-12-26 EP disclosed
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 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-20060217433-A1 Sulfonamide derivatives as ppar modulators PPARD, PPARA, PPARG ICMT 4610/4885KDM4E 3238/4885ALDH1A1 1050/4885

“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.