SCHEMBL2939747

SCHEMBL2939747

COc1ccc(-n2nc(COc3ccc(OCC(=O)O)c(C)c3)cc2-c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.60
PTGS2 P35354 3/20 0.55
PTGS1 P23219 2/20 0.55
PPARA Q07869 5/20 0.50
PPARG P37231 2/20 0.49
ALOX5 P09917 1/20 0.48

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
SCHEMBL2949329 0.91 PPARD (0.64) PPARDPTGS2PTGS1PPARA
SCHEMBL2945180 0.90 PPARD (0.58) PPARDPTGS2PTGS1PPARAPPARG
SCHEMBL2948339 0.90 PPARD (0.68) PPARDPTGS2PTGS1PPARAPPARG
SCHEMBL2948350 0.87 PPARD (0.55) PPARDPTGS2PTGS1PPARAPPARG
SCHEMBL2949790 0.85 PPARD (0.63) PPARDPPARA
SCHEMBL2944587 0.85 PPARD (0.66) PPARDPPARA
SCHEMBL2950560 0.85 PPARD (0.66) PPARDPPARA
SCHEMBL2947676 0.85 PPARD (0.63) PPARDPPARA
SCHEMBL13848568 0.84 PPARD (0.63) PPARDPPARAPPARG
SCHEMBL2950067 0.81 PPARD (0.67) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US claimed
US-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US claimed
US-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-7750032-B2 Compounds and compositions as PPAR modulators IRM LLC (BM) 2010-07-06 US disclosed
US-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
EP-1843763-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM, LLC (BM) 2007-10-17 EP disclosed
WO-2006084176-A2 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS IRM LLC (BM) 2006-08-10 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-20090137591-A1 COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS PPARG, PPARD, PPARA PPARD 2/4885PTGS2 669/4885PTGS1 343/4885

“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.