SCHEMBL5864005

SCHEMBL5864005

O=S(=O)(c1c(Cl)cc(Cl)cc1Cl)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.47
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
HTT P42858 1/20 0.44
ESR1 P03372 8/20 0.43
ESR2 Q92731 8/20 0.43
KDR P35968 2/20 0.42
PDK1 Q15118 1/20 0.41
PTGS2 P35354 1/20 0.41

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 0.94 LTA4H (0.43) LTA4HKCNH2MCHR1HTTESR1
SCHEMBL5864300 0.91 LTA4H (0.45) LTA4HKCNH2MCHR1HTTESR1
SCHEMBL5863869 0.90 LTA4H (0.48) LTA4HKCNH2MCHR1HTTESR1
SCHEMBL5863563 0.90 LTA4H (0.48) LTA4HKCNH2MCHR1HTTESR1
SCHEMBL5863991 0.88 NR3C1 (0.50) LTA4HKCNH2MCHR1HTTESR1
SCHEMBL5864229 0.88 LTA4H (0.45) LTA4HKCNH2MCHR1HTTESR1
SCHEMBL5863929 0.88 PGR (0.54) LTA4HKCNH2MCHR1HTTESR1
SCHEMBL5863551 0.87 ESR1 (0.45) LTA4HKCNH2MCHR1HTTESR1
SCHEMBL5863861 0.87 KDR (0.46) LTA4HKCNH2MCHR1HTTESR1
SCHEMBL5863330 0.86 LTA4H (0.43) LTA4HKCNH2MCHR1HTTESR1

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 1687/4885KCNH2 1736/4885MCHR1 1402/4885

“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.