SCHEMBL2357294

SCHEMBL2357294

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

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.67
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 1/20 0.34
KIT P10721 2/20 0.34
UGCG Q16739 1/20 0.34
TRPV4 Q9HBA0 3/20 0.33
ELANE P08246 2/20 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
SCHEMBL2548279 0.93 NR3C2 (0.67) NR3C2HSD11B1TRPV4ELANE
SCHEMBL2359459 0.93 NR3C2 (0.61) NR3C2MAPTKDM4EMEN1HTT
SCHEMBL2550462 0.92 NR3C2 (0.69) NR3C2MAPTHSD11B1
SCHEMBL27997696 0.91 NR3C2 (0.81) NR3C2ALDH1A1MAPT
SCHEMBL2359248 0.91 NR3C2 (0.81) NR3C2ALDH1A1MAPT
SCHEMBL2357327 0.91 NR3C2 (0.60) NR3C2ALDH1A1MAPTKDM4EMEN1
SCHEMBL2359060 0.89 NR3C2 (0.83) NR3C2TRPV4ELANE
SCHEMBL2358996 0.88 NR3C2 (0.62) NR3C2ALDH1A1MAPTKDM4EMEN1
SCHEMBL2359896 0.88 NR3C2 (0.57) NR3C2ALDH1A1MAPTKDM4EMEN1
SCHEMBL27997693 0.88 NR3C2 (0.57) NR3C2ALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2010042626-A1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS, INC. (US) 2010-04-15 WO 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 3/4885ALDH1A1 252/4885MAPT 4844/4885

“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.