SCHEMBL2359873

SCHEMBL2359873

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(C[C@H](C)O)n1-c1ccc(Cl)cc1Oc1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.78
AVPR2 P30518 1/20 0.43
GPR27 Q9NS67 1/20 0.43
SCN8A Q9UQD0 2/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
ENPP1 P22413 1/20 0.38
ENPP2 Q13822 1/20 0.38
PNLIP P16233 1/20 0.38
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL2358978 0.87 NR3C2 (0.74) NR3C2AVPR2GPR27
SCHEMBL2541725 0.87 NR3C2 (1.00) NR3C2AVPR2GPR27PTGS2
SCHEMBL2359197 0.87 NR3C2 (0.78) NR3C2AVPR2GPR27
SCHEMBL27997700 0.87 NR3C2 (0.78) NR3C2AVPR2GPR27
SCHEMBL2359373 0.84 NR3C2 (0.77) NR3C2AVPR2GPR27LMNAPTGS2
SCHEMBL2358694 0.84 NR3C2 (0.79) NR3C2AVPR2GPR27LMNA
SCHEMBL27997694 0.84 NR3C2 (0.79) NR3C2AVPR2GPR27LMNA
SCHEMBL2358561 0.84 NR3C2 (0.79) NR3C2AVPR2GPR27LMNA
SCHEMBL2359163 0.83 NR3C2 (0.81) NR3C2AVPR2GPR27PTGS2
SCHEMBL27997692 0.83 NR3C2 (0.81) NR3C2AVPR2GPR27PTGS2

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.