SCHEMBL2919374

SCHEMBL2919374

COc1ccc(CCC(c2ccc(C(C)C(=O)O)cc2)C2CCCC3(C2)NC(=O)N(CC(C)C)C3=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
OPRK1 P41145 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL2917141 0.93 NPC1 (0.40) NPC1AKR1B1ALDH1A1LMNAHTT
SCHEMBL2911536 0.71 PTGS1 (0.37) ALDH1A1HTTKMT2APTGS1PTGS2
SCHEMBL2913047 0.67 MEN1 (0.40) NPC1AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL2912996 0.67 ALDH1A1 (0.39) NPC1AKR1B1ALDH1A1LMNAKMT2A
SCHEMBL2942907 0.67 LTB4R (0.34) HTTKMT2ASMN1; SMN2PTGS1PTGS2
SCHEMBL13849465 0.65 CYP3A4 (0.39) ALDH1A1KMT2AMEN1
SCHEMBL2917139 0.64 MMP1 (0.35) ALDH1A1HTTKMT2AMEN1PTGS2
SCHEMBL350067 0.62 PTGS2 (0.71) LMNACA1CA2KMT2AMEN1
SCHEMBL599316 0.62 PTGS2 (0.71) LMNACA1CA2KMT2AMEN1
SCHEMBL2370631 0.62 PTGS2 (0.71) LMNACA1CA2KMT2AMEN1

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 NPC1 831/4885AKR1B1 202/4885ALDH1A1 736/4885

“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.