SCHEMBL2360022

SCHEMBL2360022

CCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(C[C@H](C)O)n1-c1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.82
AVPR2 P30518 1/20 0.46
GPR27 Q9NS67 1/20 0.46
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
TRPV4 Q9HBA0 1/20 0.37
TMPRSS4 Q9NRS4 3/20 0.36
GAA P10253 1/20 0.36
RORC P51449 4/20 0.36

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
SCHEMBL2360207 0.91 NR3C2 (0.68) NR3C2AVPR2GPR27TRPV4RORC
SCHEMBL2356581 0.90 NR3C2 (1.00) NR3C2AVPR2GPR27NPSR1L3MBTL1
SCHEMBL2359145 0.89 NR3C2 (0.64) NR3C2AVPR2GPR27LMNAPOLB
SCHEMBL2358814 0.84 NR3C2 (0.63) NR3C2AVPR2GPR27NPSR1L3MBTL1
SCHEMBL2357997 0.83 NR3C2 (0.87) NR3C2AVPR2GPR27NPSR1L3MBTL1
SCHEMBL27997698 0.83 NR3C2 (0.87) NR3C2AVPR2GPR27NPSR1L3MBTL1
SCHEMBL12266020 0.81 NR3C2 (0.76) NR3C2AVPR2GPR27NPSR1L3MBTL1
SCHEMBL2359060 0.81 NR3C2 (0.83) NR3C2AVPR2GPR27TRPV4
SCHEMBL2359248 0.80 NR3C2 (0.81) NR3C2AVPR2GPR27NPSR1L3MBTL1
SCHEMBL27997696 0.80 NR3C2 (0.81) NR3C2AVPR2GPR27NPSR1L3MBTL1

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
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
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 3/4885AVPR2 22/4885GPR27 637/4885

“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.