SCHEMBL12265641

SCHEMBL12265641

CCCCOCCc1cc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)n1-c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.64
PTGS2 P35354 4/20 0.39
PTGS1 P23219 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
SCHEMBL12279571 0.92 NR3C2 (0.77) NR3C2
SCHEMBL12265621 0.91 NR3C2 (0.61) NR3C2PTGS2PTGS1
SCHEMBL2356953 0.88 NR3C2 (0.62) NR3C2PTGS2
SCHEMBL2359038 0.87 NR3C2 (0.82) NR3C2PTGS2PTGS1
SCHEMBL2359060 0.82 NR3C2 (0.83) NR3C2PTGS2
SCHEMBL1380864 0.81 NR3C2 (0.75) NR3C2PTGS2
SCHEMBL12266450 0.81 NR3C2 (0.38) NR3C2
SCHEMBL2548973 0.80 NR3C2 (0.61) NR3C2
SCHEMBL2545125 0.80 NR3C2 (0.70) NR3C2
SCHEMBL2359492 0.79 NR3C2 (0.75) NR3C2

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 4 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
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 273/4885PTGS1 61/4885

“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.