SCHEMBL4892283

SCHEMBL4892283

CC(C)OC(=O)CNCc1ccc(O)cc1CCC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
EGFR P00533 3/20 0.37
VSIR Q9H7M9 1/20 0.37
NQO2 P16083 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL4885808 0.96 HSP90AA1 (0.38) HSP90AA1EGFRVSIRNQO2NLRP3
SCHEMBL4889176 0.87 CA12 (0.38) HSP90AA1EGFRNQO2CA12CA1
SCHEMBL4893266 0.85 NQO2 (0.39) HSP90AA1EGFRNQO2CA12CA1
SCHEMBL3692384 0.81 PPARG (0.41) HSP90AA1EGFRNQO2CA12CA1
SCHEMBL4892292 0.78 HTR6 (0.35) HSP90AA1EGFRNQO2CA12CA1
SCHEMBL4885813 0.76 HTR6 (0.36) HSP90AA1EGFRNQO2CA12CA1
SCHEMBL14369969 0.76 EGFR (0.43) EGFRNQO2
SCHEMBL14110319 0.75 EGFR (0.40) EGFRNQO2
SCHEMBL3692383 0.74 CA12 (0.34) HSP90AA1NQO2CA12CA1CA2
SCHEMBL4894702 0.74 EGFR (0.38) EGFRNQO2

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-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 US disclosed
US-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP disclosed
WO-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 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 (2 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD HSP90AA1 1042/4885EGFR 2276/4885VSIR 2960/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD HSP90AA1 1042/4885EGFR 2276/4885VSIR 2960/4885

“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.