SCHEMBL423035

SCHEMBL423035

COc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
APLNR P35414 3/20 0.53
CNR2 P34972 1/20 0.48
CXCR3 P49682 1/20 0.47
NFE2L2 Q16236 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAS2R14 Q9NYV8 4/20 0.42
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
BCL2A1 Q16548 1/20 0.41

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
SCHEMBL428462 0.91 APLNR (0.60) ACLYAPLNRCNR2CXCR3NFE2L2
SCHEMBL20618408 0.76 APLNR (0.52) APLNRCNR2CXCR3ALDH1A1TAS2R14
SCHEMBL30684179 0.76 APLNR (0.52) APLNRCNR2CXCR3ALDH1A1TAS2R14
SCHEMBL426700 0.76 LMNA (0.57) APLNRNFE2L2ALDH1A1MEN1KMT2A
SCHEMBL31149221 0.75 APLNR (0.54) APLNRCNR2CXCR3TAS2R14
SCHEMBL20474629 0.75 APLNR (0.54) APLNRCNR2CXCR3TAS2R14
SCHEMBL31149209 0.75 APLNR (0.54) APLNRCNR2CXCR3TAS2R14
SCHEMBL25359157 0.74 ACLY (0.47) ACLYAPLNRALDH1A1MEN1KMT2A
SCHEMBL20474627 0.73 APLNR (0.51) APLNRCNR2CXCR3TAS2R14
SCHEMBL22718283 0.73 ACLY (0.49) ACLYAPLNRCNR2ALDH1A1MEN1

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 ACLY 1058/4885APLNR 3127/4885CNR2 745/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 ACLY 1058/4885APLNR 3127/4885CNR2 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.