SCHEMBL1055145

SCHEMBL1055145

COC[C@H](C)Oc1cc(Oc2cnc(C(=O)N3CCN(C)CC3)cn2)cc(-c2ccc(C(=O)OCc3ccccc3)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 16/20 0.47
KCNH2 Q12809 5/20 0.38
CYP1A2 P05177 1/20 0.35
ABCB1 P08183 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGDS O60760 1/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.33
SCN7A Q01118 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
SCHEMBL3463240 1.00 GCK (0.47) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1056454 0.84 GCK (0.52) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL421885 0.82 GCK (0.43) GCKKCNH2RARARARB
SCHEMBL2669700 0.81 GCK (0.52) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL423126 0.81 GCK (0.52) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL13127258 0.80 GCK (0.57) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL425598 0.80 GCK (0.41) GCKKCNH2RARARARB
SCHEMBL428556 0.79 GCK (0.48) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL423252 0.77 GCK (0.41) GCKKCNH2
SCHEMBL426478 0.77 MMP2 (0.41) GCKCYP3A4RARARARB

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 5 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-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 (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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 GCK 2/4885KCNH2 197/4885CYP1A2 2194/4885

“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.