SCHEMBL5863535

SCHEMBL5863535

Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(O)c2)c2ccc(CCCN3C(C)CCCC3C)cc2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.42
OPRD1 P41143 7/20 0.36
OPRK1 P41145 5/20 0.36
SIGMAR1 Q99720 2/20 0.35
ADRA2A P08913 1/20 0.34
AR P10275 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
PTGS2 P35354 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
KEAP1 Q14145 2/20 0.34
STAT3 P40763 1/20 0.34
STAT1 P42224 1/20 0.34
STAT5B P51692 1/20 0.34
NFE2L2 Q16236 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL5863748 0.90 HRH3 (0.42) KCNH2
SCHEMBL5863924 0.89 HRH3 (0.40) OPRM1KCNH2
SCHEMBL5863814 0.86 SIGMAR1 (0.41) OPRM1OPRD1OPRK1SIGMAR1ADRA2A
SCHEMBL5864104 0.86 OPRM1 (0.41) OPRM1OPRD1OPRK1SLC6A3KEAP1
SCHEMBL5863804 0.85 HRH1 (0.41) OPRM1OPRD1OPRK1SIGMAR1SLC6A3
SCHEMBL5864158 0.84 OPRM1 (0.42) OPRM1OPRD1OPRK1SIGMAR1ADRA2A
SCHEMBL5863694 0.83 GRIN2B (0.40) STAT3STAT1STAT5BUSP2MAPT
SCHEMBL5863774 0.83 SPHK1 (0.41) KEAP1
SCHEMBL5864306 0.83 SPHK1 (0.41) KEAP1
SCHEMBL5863342 0.82 KEAP1 (0.41) KEAP1STAT5BNFE2L2

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-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US claimed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP claimed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US claimed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO claimed
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 OPRM1 1264/4885OPRD1 922/4885OPRK1 1030/4885

“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.