SCHEMBL426478

SCHEMBL426478

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.41
MMP12 P39900 11/20 0.41
MMP9 P14780 10/20 0.41
MMP1 P03956 9/20 0.41
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
GCK P35557 1/20 0.37
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL420723 0.88 GCK (0.39) MMP2MMP12MMP9MMP1RARA
SCHEMBL425598 0.82 GCK (0.41) MMP2MMP12MMP9MMP1RARA
SCHEMBL426637 0.82 GCK (0.40) RARARARBGCKLMNAMAPK1
SCHEMBL425306 0.81 TTR (0.33) MMP2MMP12MMP9MMP1RARA
SCHEMBL427786 0.81 GCK (0.41) MMP2RARARARBGCK
SCHEMBL421885 0.80 GCK (0.43) RARARARBGCK
SCHEMBL423252 0.78 GCK (0.41) GCK
SCHEMBL1055145 0.77 GCK (0.47) RARARARBGCKCYP3A4
SCHEMBL3463240 0.77 GCK (0.47) RARARARBGCKCYP3A4
SCHEMBL428786 0.71 GCK (0.43) RARARARBGCK

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 MMP2 1819/4885MMP12 3941/4885MMP9 3933/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 MMP2 1819/4885MMP12 3941/4885MMP9 3933/4885

“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.