SCHEMBL3199595

SCHEMBL3199595

COC(=O)COc1ccc(OCc2nc(-c3ccccc3Cl)cs2)cc1C

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 18/20 0.61
PPARA Q07869 2/20 0.61
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
ALOX5 P09917 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL3210801 0.91 PPARD (0.74) PPARDPPARA
SCHEMBL3194256 0.89 PPARD (0.61) PPARDPPARA
SCHEMBL14124587 0.87 PPARD (0.60) PPARDPPARAALDH1A1MAPT
SCHEMBL3204737 0.86 PPARD (0.57) PPARDPPARA
SCHEMBL3196022 0.82 PPARD (0.47) PPARDPPARA
SCHEMBL13484529 0.82 PPARD (0.67) PPARDPPARA
SCHEMBL3194371 0.81 PPARD (0.44) PPARDPPARA
SCHEMBL13484537 0.81 PPARD (0.74) PPARDPPARA
SCHEMBL13484540 0.80 PPARD (0.78) PPARDPPARA
SCHEMBL3196416 0.79 PPARD (0.74) PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394841-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-03-12 US disclosed
US-8394841-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-03-12 US disclosed
US-8394841-B2 Compounds and methods for modulating G protein-coupled receptors IRM LLC (BM) 2013-03-12 US disclosed
US-20100035944-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-02-11 US disclosed
US-20100035944-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-02-11 US disclosed
US-20100035944-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2010-02-11 US disclosed
EP-2125758-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2009-12-02 EP disclosed
WO-2008103501-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 WO disclosed
WO-2008103501-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS IRM LLC (BM) 2008-08-28 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-20100035944-A1 COMPOUNDS AND METHODS FOR MODULATING G PROTEIN-COUPLED RECEPTORS GRK2, GRK3, GRK5 PPARD 378/4885PPARA 396/4885ALDH1A1 2901/4885

“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.