SCHEMBL2550642

SCHEMBL2550642

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(CCO)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.79
PTGES O14684 2/20 0.41
AVPR2 P30518 2/20 0.40
GPR27 Q9NS67 2/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
S1PR1 P21453 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL2359038 0.89 NR3C2 (0.82) NR3C2AVPR2GPR27MAPTRAB9A
SCHEMBL2357173 0.88 NR3C2 (1.00) NR3C2AVPR2GPR27LMNAMAPT
SCHEMBL27997476 0.87 NR3C2 (0.80) NR3C2PTGESAVPR2GPR27F13A1
SCHEMBL2548721 0.87 NR3C2 (0.80) NR3C2PTGESAVPR2GPR27F13A1
SCHEMBL1380202 0.86 NR3C2 (0.59) NR3C2AVPR2GPR27F13A1TGM2
SCHEMBL12265621 0.86 NR3C2 (0.61) NR3C2PTGESAVPR2GPR27MAOA
SCHEMBL2359546 0.86 NR3C2 (0.61) NR3C2PTGESAVPR2GPR27MAOA
SCHEMBL16457039 0.82 NR3C2 (0.62) NR3C2PTGESAVPR2GPR27MAOA
SCHEMBL2358437 0.81 NR3C2 (0.68) NR3C2AVPR2GPR27MAPTRAB9A
SCHEMBL2545125 0.81 NR3C2 (0.70) NR3C2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102177137-B 1-phenylpyrrole compounds EXELIXIS INC 2015-03-18 CN 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
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
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 3/4885PTGES 291/4885AVPR2 22/4885

“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.