SCHEMBL2357327

SCHEMBL2357327

Cc1cc(F)ccc1-n1c(C[C@H](C)O)cc(C(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.60
ALDH1A1 P00352 2/20 0.42
MAPT P10636 4/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
GRM4 Q14833 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
RORC P51449 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 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
SCHEMBL2358996 0.92 NR3C2 (0.62) NR3C2ALDH1A1MAPTHTTKDM4E
SCHEMBL2359339 0.92 NR3C2 (0.62) NR3C2MAPTHTTKDM4EMEN1
SCHEMBL2359896 0.91 NR3C2 (0.57) NR3C2ALDH1A1MAPTHTTKDM4E
SCHEMBL27997693 0.91 NR3C2 (0.57) NR3C2ALDH1A1MAPTHTTKDM4E
SCHEMBL2357294 0.91 NR3C2 (0.67) NR3C2ALDH1A1MAPTHTTKDM4E
SCHEMBL27997474 0.89 NR3C2 (0.66) NR3C2ALDH1A1MAPTHTTKDM4E
SCHEMBL2358756 0.89 NR3C2 (0.66) NR3C2ALDH1A1MAPTHTTKDM4E
SCHEMBL2358752 0.89 NR3C2 (0.74) NR3C2RORC
SCHEMBL12266040 0.86 NR3C2 (0.47) NR3C2ALDH1A1MAPTHTTKDM4E
SCHEMBL2359528 0.86 NR3C2 (0.63) NR3C2HTTGRM4SMN1; SMN2RAB9A

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 15 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
EP-2349996-A1 1-PHENYLPYRROLE COMPOUNDS Exelixis, Inc. (US) 2011-08-03 EP claimed
WO-2010042626-A1 1-PHENYLPYRROLE COMPOUNDS EXELIXIS, INC. (US) 2010-04-15 WO 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
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
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.