SCHEMBL425306

SCHEMBL425306

COC[C@H](C)Oc1cc(Oc2ccc(C=O)cc2F)cc(-c2ccc(C(=O)OCc3ccccc3)[nH]2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.33
MMP2 P08253 7/20 0.33
MMP1 P03956 6/20 0.33
MMP12 P39900 6/20 0.33
MMP9 P14780 5/20 0.33
GCK P35557 7/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL426637 0.89 GCK (0.40) GCKRARARARBLMNARAB9A
SCHEMBL423252 0.85 GCK (0.41) GCK
SCHEMBL426478 0.81 MMP2 (0.41) MMP2MMP1MMP12MMP9GCK
SCHEMBL420723 0.79 GCK (0.39) MMP2MMP1MMP12MMP9GCK
SCHEMBL425598 0.77 GCK (0.41) MMP2MMP1MMP12MMP9GCK
SCHEMBL427786 0.76 GCK (0.41) MMP2GCKRARARARB
SCHEMBL1058044 0.75 POLB (0.36) TTRGCKRARARARBHSD17B10
SCHEMBL421885 0.75 GCK (0.43) GCKRARARARBRARG
SCHEMBL421505 0.72 GCK (0.45) GCKRARG
SCHEMBL1055145 0.71 GCK (0.47) GCKRARARARBCYP1A2CYP2C9

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 TTR 4296/4885MMP2 1819/4885MMP1 3246/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 TTR 4296/4885MMP2 1819/4885MMP1 3246/4885

“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.