SCHEMBL3372586

SCHEMBL3372586

CCOC(=O)C(Cc1ccc(O)cc1OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
PPARA Q07869 2/20 0.37
CAPN1 P07384 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
GAA P10253 1/20 0.37
CNR2 P34972 4/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
CNR1 P21554 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL5017455 0.87 ALDH1A1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL5024469 0.85 ESR1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL3370060 0.85 ESR1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL5349166 0.83 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL3372793 0.81 APP (0.42) CA12CA1CA2CA7CA9
SCHEMBL5095387 0.81 APP (0.42) CA12CA1CA2CA7CA9
SCHEMBL5017407 0.77 NR3C1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL3371001 0.77 NR3C1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL3373956 0.76 ALDH1A1 (0.34) GAASMN1; SMN2KDM4E
SCHEMBL977514 0.75 PPARA (0.54) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537091-B1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS HOFFMANN LA ROCHE (CH) 2010-10-06 EP disclosed
EP-1551814-B1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7348349-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-03-25 US disclosed
US-20050267180-A1 Novel oxazole derivatives BINGGELI ALFRED 2005-12-01 US disclosed
US-6969725-B2 Oxazole derivatives HOFFMAN-LA ROCHE INC. (US) 2005-11-29 US disclosed
EP-1551814-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-13 EP disclosed
EP-1537091-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-08 EP disclosed
US-6809110-B2 NONINSULIN DEPENDENT DIABETES; SUCH AS 2-ETHOXY-3-(4-(2-(5-METHYL-2-PHENYL-THIAZOL-4-YL)-ETHOXY)-BENZO(B)THIOPHEN-7-YL)-PROPIONIC ACID HOFFMANN-LA ROCHE INC. 2004-10-26 US disclosed
US-20040116487-A1 Novel oxazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
US-20040110807-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2004-06-10 US disclosed
WO-2004031162-A1 CHIRALE OXAZOLE-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
WO-2004020420-A1 NOVEL 2-ARYLTHIAZOLE COMPOUNDS AS PPARALPHA AND PPARGAMA AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2004-03-11 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-20050267180-A1 Novel oxazole derivatives NR1H3, NR1H2, PPARD CA12 2485/4885CA1 866/4885CA2 2079/4885
US-20040110807-A1 Thiazole derivatives SLC5A1, GPR119, INSR CA12 3954/4885CA1 3153/4885CA2 1747/4885

“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.