SCHEMBL5863869

SCHEMBL5863869

O=S(=O)(c1cc(Cl)cc(Cl)c1)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.48
PGR P06401 1/20 0.46
KCNH2 Q12809 2/20 0.44
HTT P42858 1/20 0.44
MCHR1 Q99705 1/20 0.44
ESR1 P03372 5/20 0.44
ESR2 Q92731 5/20 0.44
MMP1 P03956 2/20 0.44
MMP9 P14780 2/20 0.44
MMP13 P45452 2/20 0.44
ADAM17 P78536 2/20 0.44
KDR P35968 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
NR3C1 P04150 1/20 0.42

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
SCHEMBL5863929 0.94 PGR (0.54) LTA4HPGRKCNH2HTTMCHR1
SCHEMBL5863991 0.93 NR3C1 (0.50) LTA4HPGRKCNH2HTTMCHR1
SCHEMBL5864005 0.90 LTA4H (0.47) LTA4HKCNH2HTTMCHR1ESR1
SCHEMBL5863875 0.90 LTA4H (0.47) LTA4HKCNH2MCHR1ESR1ESR2
SCHEMBL5863789 0.90 LTA4H (0.53) LTA4HKCNH2HTTMCHR1ESR1
SCHEMBL5864250 0.87 MMP1 (0.51) LTA4HESR1ESR2MMP1MMP9
SCHEMBL5863843 0.87 NR3C1 (0.50) LTA4HKCNH2HTTMCHR1ESR1
SCHEMBL5863649 0.87 MMP1 (0.51) LTA4HKCNH2HTTESR1ESR2
SCHEMBL5863389 0.87 MMP1 (0.57) LTA4HPGRHTTESR1ESR2
SCHEMBL5863911 0.87 MMP1 (0.48) LTA4HKCNH2ESR1ESR2MMP1

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 2 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 disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US 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 1687/4885PGR 54/4885KCNH2 1736/4885

“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.