SCHEMBL428682

SCHEMBL428682

COC[C@H](C)Oc1cc(O)cc(-c2c(C(=O)O)ccn2C(=O)OC(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 2/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA2 P54646 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAG3 Q9UGI9 2/20 0.38
PRKAG2 Q9UGJ0 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
GCK P35557 15/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR2 Q13324 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 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
SCHEMBL428368 0.80 NR1H2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL422976 0.69 GCK (0.38) GCK
SCHEMBL320803 0.69 GCK (0.50) GCKRARARARB
SCHEMBL2654383 0.69 GCK (0.50) GCKRARARARB
SCHEMBL320840 0.68 GCK (0.49) GCKRARARARB
Tert-Butylamine SCHEMBL327441 0.67 GCK (0.47) GCKRARARARB
SCHEMBL1147116 0.67 GCK (0.56) GCK
SCHEMBL2659441 0.67 GCK (0.56) GCK
SCHEMBL428491 0.67 GCK (0.51) GCK
SCHEMBL462845 0.65 NR1H2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
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 PRKAB2 717/4885PRKAG1 946/4885PRKAA2 285/4885

“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.