SCHEMBL5863330

SCHEMBL5863330

O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
HTT P42858 1/20 0.42
ESR1 P03372 10/20 0.42
ESR2 Q92731 7/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
KDR P35968 2/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
PDK1 Q15118 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
SCHEMBL5863563 0.90 LTA4H (0.48) LTA4HHTTESR1ESR2KDR
SCHEMBL5864229 0.90 LTA4H (0.45) LTA4HHTTESR1ESR2KDM4E
SCHEMBL5864483 0.88 ESR1 (0.44) LTA4HHTTESR1ESR2POLB
SCHEMBL5863720 0.87 NR3C1 (0.44) LTA4HHTTESR1ESR2KDR
SCHEMBL5863832 0.86 PDK1 (0.46) LTA4HHTTESR1ESR2KDR
SCHEMBL5864079 0.86 PDK1 (0.46) LTA4HHTTESR1ESR2KDR
SCHEMBL5863836 0.86 LTA4H (0.46) LTA4HHTTESR1ESR2KDM4E
SCHEMBL5864005 0.86 LTA4H (0.47) LTA4HHTTESR1ESR2KDR
SCHEMBL5864023 0.85 HTT (0.47) LTA4HHTTESR1ESR2KDM4E
SCHEMBL5863869 0.85 LTA4H (0.48) LTA4HHTTESR1ESR2KDR

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 1687/4885HTT 4548/4885ESR1 4/4885

“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.