SCHEMBL5864070

SCHEMBL5864070

Cc1cc(Cl)cc(Cl)c1S(=O)(=O)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
PDK1 Q15118 2/20 0.43
MMP1 P03956 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
ADAM17 P78536 2/20 0.42
ESR1 P03372 8/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
ESR2 Q92731 4/20 0.41
HTT P42858 1/20 0.41
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MET P08581 1/20 0.40
KDR P35968 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
SCHEMBL5864005 0.94 LTA4H (0.47) LTA4HPDK1ESR1KCNH2MCHR1
SCHEMBL5863758 0.91 MMP1 (0.46) LTA4HPDK1MMP1MMP9MMP13
SCHEMBL5863578 0.89 MMP1 (0.45) LTA4HPDK1MMP1MMP9MMP13
SCHEMBL5863826 0.88 MMP1 (0.46) LTA4HPDK1MMP1MMP9MMP13
SCHEMBL5863788 0.88 ESR1 (0.44) ESR1ESR2KDR
SCHEMBL5863551 0.87 ESR1 (0.45) LTA4HPDK1MMP1MMP9MMP13
SCHEMBL5863869 0.86 LTA4H (0.48) LTA4HMMP1MMP9MMP13ADAM17
SCHEMBL5864079 0.86 PDK1 (0.46) LTA4HPDK1MMP1MMP9MMP13
SCHEMBL5863832 0.86 PDK1 (0.46) LTA4HPDK1MMP1MMP9MMP13
SCHEMBL5863563 0.86 LTA4H (0.48) LTA4HESR1KCNH2MCHR1ESR2

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 6 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
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US 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 LTA4H 1687/4885PDK1 3468/4885MMP1 1746/4885

“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.