SCHEMBL2357572

SCHEMBL2357572

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(CCO)n1-c1ccc(F)cc1OC(F)F

nearest known ligand 0.89

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.89
GPR6 P46095 5/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGS2 P35354 3/20 0.37
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
PTGS1 P23219 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2357001 0.94 NR3C2 (1.00) NR3C2GPR6ALDH1A1PTGS2AVPR2
SCHEMBL2357844 0.90 NR3C2 (0.83) NR3C2GPR6ALDH1A1PTGS2AVPR2
SCHEMBL27997478 0.90 NR3C2 (0.83) NR3C2GPR6ALDH1A1PTGS2AVPR2
SCHEMBL2359033 0.90 NR3C2 (0.83) NR3C2GPR6ALDH1A1PTGS2AVPR2
SCHEMBL27997692 0.89 NR3C2 (0.81) NR3C2GPR6ALDH1A1PTGS2AVPR2
SCHEMBL2359163 0.89 NR3C2 (0.81) NR3C2GPR6ALDH1A1PTGS2AVPR2
SCHEMBL2358437 0.87 NR3C2 (0.68) NR3C2GPR6PTGS2AVPR2GPR27
SCHEMBL2359184 0.85 NR3C2 (0.71) NR3C2ALDH1A1PTGS2AVPR2GPR27
SCHEMBL2359038 0.83 NR3C2 (0.82) NR3C2PTGS2AVPR2GPR27PTGS1
SCHEMBL27839771 0.83 NR3C2 (0.65) NR3C2PTGS2AVPR2GPR27PTGS1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102177137-B 1-phenylpyrrole compounds EXELIXIS INC 2015-03-18 CN 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
CN-102177137-A 1-phenylpyrrole compounds EXELIXIS INC 2011-09-07 CN 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 3/4885GPR6 770/4885ALDH1A1 252/4885

“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.