SCHEMBL5863802

SCHEMBL5863802

O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.54
CNR2 P34972 5/20 0.52
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
MMP1 P03956 2/20 0.50
MMP9 P14780 2/20 0.50
MMP13 P45452 2/20 0.50
ADAM17 P78536 2/20 0.50
PTGS2 P35354 1/20 0.50
CNR1 P21554 3/20 0.48
HRH3 Q9Y5N1 4/20 0.48
KCNH2 Q12809 2/20 0.47
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
MCHR1 Q99705 1/20 0.47
ESR1 P03372 2/20 0.46

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
SCHEMBL5864177 0.95 MMP1 (0.54) LTA4HCNR2MMP1MMP9MMP13
SCHEMBL5863875 0.91 LTA4H (0.47) LTA4HMMP1MMP9MMP13ADAM17
SCHEMBL5863775 0.90 NR3C1 (0.51) LTA4HCNR2NR3C1MMP1MMP9
SCHEMBL5864219 0.90 KMT2A (0.55) CNR2NR3C1MMP1MMP9MMP13
SCHEMBL5863797 0.90 MMP1 (0.61) LTA4HCNR2NR3C1PGRMMP1
SCHEMBL5863970 0.90 ESR1 (0.54) LTA4HCNR2NR3C1MMP1MMP9
SCHEMBL5863577 0.90 MMP1 (0.50) CNR2MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL5863582 0.89 MMP1 (0.60) LTA4HCNR2NR3C1PGRMMP1
SCHEMBL5864402 0.89 PGR (0.55) LTA4HPGRMMP1MMP9MMP13
SCHEMBL5863991 0.89 NR3C1 (0.50) LTA4HCNR2NR3C1PGRMMP1

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 LTA4H 1687/4885CNR2 92/4885NR3C1 160/4885

“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.