SCHEMBL5863758

SCHEMBL5863758

Cc1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
ADAM17 P78536 2/20 0.46
ESR1 P03372 13/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
ESR2 Q92731 5/20 0.43
LTA4H P09960 2/20 0.43
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL5864070 0.91 LTA4H (0.43) MMP1MMP9MMP13ADAM17ESR1
SCHEMBL5863788 0.90 ESR1 (0.44) ESR1ESR2
SCHEMBL5863336 0.88 MMP1 (0.49) MMP1MMP9MMP13ADAM17ESR1
SCHEMBL5863875 0.86 LTA4H (0.47) MMP1MMP9MMP13ADAM17ESR1
SCHEMBL5863990 0.85 MMP1 (0.46) MMP1MMP9MMP13ADAM17ESR1
SCHEMBL5863824 0.85 LTA4H (0.47) ESR1ESR2LTA4HPTGS2KCNH2
SCHEMBL5863606 0.84 ESR1 (0.47) MMP1MMP9MMP13ADAM17ESR1
SCHEMBL5864005 0.84 LTA4H (0.47) ESR1PDK1ESR2LTA4HPTGS2
SCHEMBL5865382 0.83 LTA4H (0.47) ESR1ESR2LTA4HPTGS2KCNH2
SCHEMBL5863802 0.83 LTA4H (0.54) MMP1MMP9MMP13ADAM17ESR1

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 MMP1 1746/4885MMP9 2415/4885MMP13 2401/4885

“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.