SCHEMBL334074

SCHEMBL334074

COC(=O)Cc1ccc(Cl)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
ALDH1A1 P00352 2/20 0.61
GFER P55789 1/20 0.61
HSP90AB1 P08238 1/20 0.53
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
CA2 P00918 3/20 0.48
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CA1 P00915 1/20 0.45
YWHAG P61981 1/20 0.45
LDHA P00338 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ANO1 Q5XXA6 1/20 0.43
SLC7A5 Q01650 1/20 0.43
PIK3CA P42336 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
SCHEMBL2003361 0.86 ALDH1A1 (0.66) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL298044 0.86 TSHR (0.62) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL30632630 0.86 TSHR (0.62) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL3668882 0.84 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL29446278 0.84 GAA (0.72) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL137925 0.83 YWHAG (0.50) GAAALDH1A1GFERCYP4F2CYP4A11
SCHEMBL14438957 0.83 ALDH1A1 (0.53) GAAALDH1A1GFERHSP90AB1CYP4F2
Methyl Alcohol SCHEMBL27946196 0.82 GAA (0.70) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL2982711 0.81 ALDH1A1 (0.51) GAAALDH1A1GFERHSP90AB1CYP4F2
SCHEMBL3933692 0.81 ALDH1A1 (0.51) GAAALDH1A1GFERHSP90AB1CYP4F2

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
CN-101296914-B Derivatives with PPAR agonist activity SHIONOGI & CO 2012-07-18 CN disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
CN-101296914-A Derivatives with PPAR agonist activity SHIONOGI & CO (JP) 2008-10-29 CN disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1887000-A1 ARYLACETATE DERIVATIVE HAVING ISOXAZOLE SKELETON Shionogi Co., Ltd. (JP) 2008-02-13 EP 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG GAA 4712/4885ALDH1A1 1821/4885GFER 2758/4885
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton CYP2A7, CYP4X1, HAX1 GAA 2743/4885ALDH1A1 877/4885GFER 2259/4885

“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.