SCHEMBL2548973

SCHEMBL2548973

Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(CCF)n1-c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.61
CA1 P00915 8/20 0.41
CA2 P00918 8/20 0.41
CA9 Q16790 7/20 0.41
CA12 O43570 5/20 0.41
CA7 P43166 2/20 0.40
CA4 P22748 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL2365487 0.97 NR3C2 (0.67) NR3C2CA1CA2CA9CA12
SCHEMBL2545125 0.94 NR3C2 (0.70) NR3C2CA1CA2CA9CA12
SCHEMBL2548305 0.90 NR3C2 (0.75) NR3C2CA1CA2CA9CA12
SCHEMBL1381638 0.88 NR3C2 (0.64) NR3C2CA1CA2CA9CA12
SCHEMBL2365401 0.87 NR3C2 (0.81) NR3C2CA1CA2CA9CA12
SCHEMBL2365488 0.87 NR3C2 (0.54) NR3C2CA1CA2CA9CA12
SCHEMBL2359038 0.86 NR3C2 (0.82) NR3C2GAA
SCHEMBL2548930 0.84 NR3C2 (0.85) NR3C2CA1CA2CA9CA12
SCHEMBL2359060 0.81 NR3C2 (0.83) NR3C2
SCHEMBL2357344 0.81 NR3C2 (0.76) NR3C2ALDH1A1

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 8 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
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
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 3/4885CA1 4633/4885CA2 2498/4885

“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.