SCHEMBL462845

SCHEMBL462845

COC[C@H](C)Oc1cc(-c2ccc(C(=O)O)n2C(=O)OC(C)(C)C)ccc1O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.34
CFTR P13569 1/20 0.34
NR1H3 Q13133 2/20 0.33
PRKAB2 O43741 2/20 0.32
PRKAG1 P54619 2/20 0.32
PRKAA2 P54646 2/20 0.32
PRKAA1 Q13131 2/20 0.32
PRKAG3 Q9UGI9 2/20 0.32
PRKAG2 Q9UGJ0 2/20 0.32
PRKAB1 Q9Y478 2/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32

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
SCHEMBL428368 0.83 NR1H2 (0.34) NR1H2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28050021 0.67 BCHE (0.41) NR1H2NR1H3
SCHEMBL428682 0.65 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL422976 0.65 GCK (0.38) NR1H2
SCHEMBL427549 0.65 GCK (0.48)
SCHEMBL421300 0.61 RORC (0.36) NR1H2NR1H3
SCHEMBL4864985 0.61 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL7360308 0.60 CA12 (0.63) PDE4APDE4BPDE4CPDE4D
SCHEMBL11847756 0.59 TP53 (0.50)
SCHEMBL30175799 0.58 NR1H2 (0.50) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US 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-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 NR1H2 1770/4885CFTR 2599/4885NR1H3 1875/4885

“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.