SCHEMBL5863804

SCHEMBL5863804

Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(O)c2)c2ccc(CCCN3CCCCC3)cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.41
OPRM1 P35372 4/20 0.40
HTR7 P34969 2/20 0.39
NMT1 P30419 2/20 0.39
LTA4H P09960 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KEAP1 Q14145 1/20 0.37

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
SCHEMBL5864104 0.99 OPRM1 (0.41) HRH1OPRM1HTR7NMT1LTA4H
SCHEMBL5863878 0.91 OPRM1 (0.39) OPRM1HTR7NMT1KDM4EALDH1A1
SCHEMBL5864179 0.91 SIGMAR1 (0.42) OPRM1HTR7NMT1KDM4EALDH1A1
SCHEMBL5863814 0.90 SIGMAR1 (0.41) HRH1OPRM1HTR7NMT1ALDH1A1
SCHEMBL5864158 0.87 OPRM1 (0.42) OPRM1HTR7NMT1KDM4ESIGMAR1
SCHEMBL5863924 0.86 HRH3 (0.40) OPRM1
SCHEMBL5863826 0.86 MMP1 (0.46) LTA4H
SCHEMBL5863748 0.85 HRH3 (0.42)
SCHEMBL5864051 0.85 ABL1 (0.40) HRH1NMT1SIGMAR1
SCHEMBL5863535 0.85 OPRM1 (0.42) OPRM1SIGMAR1SLC6A3OPRD1OPRK1

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 HRH1 500/4885OPRM1 1264/4885HTR7 2347/4885

“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.