SCHEMBL2358437

SCHEMBL2358437

Cc1cc(F)ccc1-n1c(CCO)cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c1C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.68
PTGS2 P35354 4/20 0.41
AVPR2 P30518 2/20 0.40
GPR27 Q9NS67 2/20 0.40
PRNP P04156 1/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
GPR6 P46095 1/20 0.38
PTGS1 P23219 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
SCHEMBL2357344 0.93 NR3C2 (0.76) NR3C2PTGS2AVPR2GPR27
SCHEMBL2359184 0.91 NR3C2 (0.71) NR3C2PTGS2AVPR2GPR27MAPT
SCHEMBL27839771 0.89 NR3C2 (0.65) NR3C2PTGS2AVPR2GPR27PTGS1
SCHEMBL2359038 0.89 NR3C2 (0.82) NR3C2PTGS2AVPR2GPR27MAPT
SCHEMBL2359447 0.89 NR3C2 (0.79) NR3C2AVPR2GPR27MAPTGAA
SCHEMBL2358752 0.87 NR3C2 (0.74) NR3C2PTGS2AVPR2GPR27PTGS1
SCHEMBL2357572 0.87 NR3C2 (0.89) NR3C2PTGS2AVPR2GPR27GPR6
SCHEMBL2359867 0.84 NR3C2 (0.73) NR3C2PTGS2AVPR2GPR27MAPT
SCHEMBL2543911 0.83 NR3C2 (0.79) NR3C2AVPR2GPR27MAPTGAA
SCHEMBL2357256 0.83 NR3C2 (0.70) NR3C2AVPR2GPR27MAPTGAA

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 5 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
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
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

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 3/4885PTGS2 273/4885AVPR2 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.