SCHEMBL2550462

SCHEMBL2550462

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)cc(C[C@H](C)O)n1-c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.69
HSD11B1 P28845 7/20 0.41
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ENPP2 Q13822 1/20 0.34

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
SCHEMBL2358468 0.93 NR3C2 (0.64) NR3C2HSD11B1CHRM2CHRM4CHRM5
SCHEMBL2548279 0.92 NR3C2 (0.67) NR3C2HSD11B1
SCHEMBL2357294 0.92 NR3C2 (0.67) NR3C2HSD11B1MAPT
SCHEMBL2359528 0.91 NR3C2 (0.63) NR3C2NPY1RNPY2RLMNASMN1; SMN2
SCHEMBL2359339 0.90 NR3C2 (0.62) NR3C2MAPTNPY1RNPY2RLMNA
SCHEMBL2359060 0.88 NR3C2 (0.83) NR3C2
SCHEMBL16457142 0.87 NR3C2 (0.54) NR3C2HSD11B1CHRM2CHRM4CHRM5
SCHEMBL2031844 0.87 NR3C2 (0.58) NR3C2HSD11B1CHRM2CHRM4CHRM5
SCHEMBL2359459 0.86 NR3C2 (0.61) NR3C2HSD11B1MAPT
SCHEMBL2359248 0.86 NR3C2 (0.81) NR3C2TP53MAPTLMNASMN1; SMN2

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 8 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
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

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 3/4885HSD11B1 20/4885CHRM2 171/4885

“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.