SCHEMBL2359459

SCHEMBL2359459

Cc1cc(NC(=O)c2cc(C[C@H](C)O)n(-c3ccc(F)cc3C(F)(F)F)c2C)ccc1S(N)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.61
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
AR P10275 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL2357294 0.93 NR3C2 (0.67) NR3C2KDM4EMEN1MAPTHTT
SCHEMBL2358468 0.92 NR3C2 (0.64) NR3C2HSD11B1
SCHEMBL2551383 0.91 NR3C2 (0.74) NR3C2MAPT
SCHEMBL2548279 0.88 NR3C2 (0.67) NR3C2HSD11B1
SCHEMBL2550462 0.86 NR3C2 (0.69) NR3C2MAPTHSD11B1
SCHEMBL2359060 0.85 NR3C2 (0.83) NR3C2
SCHEMBL2551428 0.85 NR3C2 (0.74) NR3C2MAPT
SCHEMBL2359248 0.84 NR3C2 (0.81) NR3C2MAPT
SCHEMBL27997696 0.84 NR3C2 (0.81) NR3C2MAPT
SCHEMBL2358524 0.83 NR3C2 (0.60) NR3C2MEN1MAPTHTTKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US claimed
EP-2349996-B1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS INC (US) 2014-01-01 EP claimed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US claimed
US-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642640-B2 1-phenylpyrrole derivatives EXELIXIS, INC. (US) 2014-02-04 US disclosed
EP-2349996-B1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS INC (US) 2014-01-01 EP disclosed
EP-2349996-B1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS INC (US) 2014-01-01 EP disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
US-20110263544-A1 1-Phenylpyrrole Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-10-27 US disclosed
EP-2349996-A1 1-PHENYLPYRROLE COMPOUNDS Exelixis, Inc. (US) 2011-08-03 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-20110263544-A1 1-Phenylpyrrole Derivatives REN, AGTR1, NR3C2 NR3C2 3/4885CYP1A2 162/4885KDM4E 3562/4885

“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.