SCHEMBL5863989

SCHEMBL5863989

Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(O)c2)c2ccc(CCC(=O)O)cc2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.49
ALOX5 P09917 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
FFAR1 O14842 5/20 0.47
KEAP1 Q14145 4/20 0.44
NFE2L2 Q16236 2/20 0.44
PPARG P37231 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
STAT5B P51692 1/20 0.40

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
SCHEMBL5864001 0.90 PTPN1 (0.41) PTGESALOX5NR1H4KEAP1NFE2L2
SCHEMBL5863342 0.86 KEAP1 (0.41) KEAP1NFE2L2STAT5B
SCHEMBL5863628 0.85 KEAP1 (0.38) PTGESALOX5KEAP1NFE2L2STAT5B
SCHEMBL5864114 0.84 RAPGEF4 (0.41) KEAP1NFE2L2STAT5B
SCHEMBL5863735 0.82 AKR1C3 (0.41) PTGESKEAP1NFE2L2STAT5B
SCHEMBL5863737 0.82 AKR1C3 (0.41) PTGESKEAP1NFE2L2STAT5B
SCHEMBL5864104 0.81 OPRM1 (0.41) KEAP1
SCHEMBL5863804 0.80 HRH1 (0.41) KEAP1
SCHEMBL5863878 0.78 OPRM1 (0.39) KEAP1
SCHEMBL5864179 0.78 SIGMAR1 (0.42)

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-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 PTGES 222/4885ALOX5 1384/4885NR1H4 221/4885

“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.