SCHEMBL428462

SCHEMBL428462

COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APLNR P35414 5/20 0.60
CXCR3 P49682 2/20 0.53
CNR2 P34972 2/20 0.49
TAS2R14 Q9NYV8 9/20 0.49
PTGES O14684 1/20 0.46
TAS2R8 Q9NYW2 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CNR1 P21554 1/20 0.45
ACLY P53396 1/20 0.45

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
SCHEMBL423035 0.91 ACLY (0.53) APLNRCXCR3CNR2TAS2R14NFE2L2
SCHEMBL30684179 0.85 APLNR (0.52) APLNRCXCR3CNR2TAS2R14PTGES
SCHEMBL20618408 0.85 APLNR (0.52) APLNRCXCR3CNR2TAS2R14PTGES
SCHEMBL31149221 0.84 APLNR (0.54) APLNRCXCR3CNR2TAS2R14PTGES
SCHEMBL31149209 0.84 APLNR (0.54) APLNRCXCR3CNR2TAS2R14PTGES
SCHEMBL20474629 0.84 APLNR (0.54) APLNRCXCR3CNR2TAS2R14PTGES
SCHEMBL20474627 0.82 APLNR (0.51) APLNRCXCR3CNR2TAS2R14PTGES
SCHEMBL20609788 0.78 APLNR (0.54) APLNRCXCR3CNR2TAS2R14PTGES
SCHEMBL426700 0.77 LMNA (0.57) APLNRNFE2L2CNR1
SCHEMBL29850423 0.77 ALDH1A1 (0.69) APLNRCXCR3CNR2TAS2R14PTGES

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 APLNR 3127/4885CXCR3 2765/4885CNR2 745/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 APLNR 3127/4885CXCR3 2765/4885CNR2 745/4885

“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.