SCHEMBL425598

SCHEMBL425598

COC[C@H](C)Oc1cc(Oc2ccc(C(=O)OC)nc2)cc(-c2ccc(C(=O)OCc3ccccc3)[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.41
KCNH2 Q12809 2/20 0.41
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.37
MMP2 P08253 2/20 0.36
MMP1 P03956 2/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 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
SCHEMBL427786 0.88 GCK (0.41) GCKKCNH2RARARARBMMP2
SCHEMBL426478 0.82 MMP2 (0.41) GCKRARARARBMMP2MMP1
SCHEMBL420723 0.82 GCK (0.39) GCKRARARARBMMP2MMP1
SCHEMBL421885 0.81 GCK (0.43) GCKKCNH2RARARARBRARG
SCHEMBL1055145 0.80 GCK (0.47) GCKKCNH2RARARARB
SCHEMBL3463240 0.80 GCK (0.47) GCKKCNH2RARARARB
SCHEMBL426637 0.78 GCK (0.40) GCKRARARARBRARG
SCHEMBL425306 0.77 TTR (0.33) GCKRARARARBRARGMMP2
SCHEMBL426280 0.77 GCK (0.43) GCKKCNH2RARG
SCHEMBL423316 0.74 GCK (0.47) GCKKCNH2RARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
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
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 GCK 2/4885KCNH2 197/4885RARA 2584/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 GCK 2/4885KCNH2 197/4885RARA 2584/4885

“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.