SCHEMBL3687429

SCHEMBL3687429

CCOC(=O)COc1ccc(O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KMT2A Q03164 3/20 0.53
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ESR1 P03372 1/20 0.49
FDPS P14324 1/20 0.49
APP P05067 1/20 0.48
CASP3 P42574 1/20 0.48
CASP7 P55210 1/20 0.48
CASP9 P55211 1/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL2007090 0.92 ALDH1A1 (0.56) ALDH1A1KMT2AESR1CASP3CASP7
SCHEMBL2719391 0.86 ALDH1A1 (0.68) ALDH1A1KMT2AADORA2AADORA2BFDPS
SCHEMBL1549799 0.84 ESR1 (0.61) ALDH1A1KMT2AESR1CASP3CASP7
SCHEMBL11528005 0.84 KMT2A (0.49) ALDH1A1KMT2AAPPMEN1GAA
SCHEMBL3533533 0.84 ALDH1A1 (0.65) ALDH1A1KMT2AADORA2AADORA2BFDPS
SCHEMBL5106323 0.84 ALDH1A1 (0.65) ALDH1A1KMT2AADORA2AADORA2BFDPS
SCHEMBL2031260 0.83 ALDH1A1 (0.50) ALDH1A1KMT2AESR1CASP3CASP7
SCHEMBL3788224 0.82 ALDH1A1 (0.76) ALDH1A1FDPSTSHRCYP1A2CYP2C19
SCHEMBL7465120 0.82 KMT2A (0.78) ALDH1A1KMT2ATSHRMEN1MAPK1
SCHEMBL16545231 0.82 TSHR (0.73) ALDH1A1KMT2ACASP3CASP7CASP9

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
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
US-20060217433-A1 Sulfonamide derivatives as ppar modulators ELI LILLY AND COMPANY (US) 2006-09-28 US disclosed
EP-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO 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 ALDH1A1 1050/4885KMT2A 2003/4885ADORA2A 1208/4885

“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.