SCHEMBL2544782

SCHEMBL2544782

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)c(Cl)c2)cc(C[C@H](C)O)n1-c1ccc(F)cc1OC(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 5/20 0.64
MAPT P10636 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
ENPP2 Q13822 1/20 0.33
CHRM5 P08912 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
SCHEMBL27997474 0.92 NR3C2 (0.66) NR3C2MAPTMEN1KMT2AHTT
SCHEMBL2358756 0.92 NR3C2 (0.66) NR3C2MAPTMEN1KMT2AHTT
SCHEMBL2359541 0.92 NR3C2 (0.66) NR3C2LMNAALDH1A1NPC1RAB9A
SCHEMBL2359528 0.90 NR3C2 (0.63) NR3C2HTTLMNANPC1RAB9A
SCHEMBL2359339 0.89 NR3C2 (0.62) NR3C2MAPTMEN1KMT2AHTT
SCHEMBL2359163 0.88 NR3C2 (0.81) NR3C2ALDH1A1
SCHEMBL27997692 0.88 NR3C2 (0.81) NR3C2ALDH1A1
SCHEMBL2550462 0.86 NR3C2 (0.69) NR3C2MAPTLMNASMN1; SMN2NPSR1
SCHEMBL2358996 0.84 NR3C2 (0.62) NR3C2MAPTMEN1KMT2AHTT
SCHEMBL2358002 0.84 NR3C2 (0.62) NR3C2MAPTKMT2AHTTLMNA

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 9 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
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 3/4885MAPT 4844/4885MEN1 3097/4885

“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.