SCHEMBL2911536

SCHEMBL2911536

COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCCC(Cc2ccc(C(C)C(=O)O)cc2)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 8/20 0.37
PTGS2 P35354 7/20 0.37
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MT-CO1 P00395 1/20 0.36
MT-CO2 P00403 1/20 0.36
FFAR1 O14842 1/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
HSD11B1 P28845 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
SCHEMBL2917139 0.93 MMP1 (0.35) PTGS2HTTKMT2AKDM4EALDH1A1
SCHEMBL13849465 0.82 CYP3A4 (0.39) KMT2AALDH1A1MMP1MMP3MMP13
SCHEMBL13849464 0.75 CYP3A4 (0.38) KMT2AALDH1A1MMP1MMP3MMP13
SCHEMBL2909458 0.73 GSK3A (0.39) KMT2AALDH1A1MMP1MMP13
SCHEMBL2914544 0.73 GSK3A (0.41) KMT2AALDH1A1MMP1MMP13
SCHEMBL2916485 0.71 CYP3A4 (0.44) KMT2AALDH1A1MMP1MMP13ADAM17
SCHEMBL2919374 0.71 NPC1 (0.38) PTGS1PTGS2OPRK1HTTKMT2A
SCHEMBL2913300 0.71 GHSR (0.40) KMT2AALDH1A1MMP1MMP13ADAM17
SCHEMBL2909365 0.70 ALDH1A1 (0.41) KMT2AALDH1A1MMP1MMP13ADAM17
SCHEMBL2942975 0.70 SIGMAR1 (0.48) KMT2AMMP1MMP13ADAM17

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
EP-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 EP claimed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US claimed
EP-1979355-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP claimed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 WO claimed
EP-1979355-B1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2010-08-18 EP disclosed
US-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 US disclosed
EP-1979355-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 EP disclosed
WO-2007087448-A1 SPIRO IMIDAZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2007-08-02 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-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS PPARD, PPARG, PPARA PTGS1 321/4885PTGS2 892/4885OPRK1 1348/4885

“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.