SCHEMBL5863672

SCHEMBL5863672

O=S(=O)(c1ccc(Cl)cc1Cl)N(Cc1ccc(OC2CCCCO2)cc1Cl)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.37
LTA4H P09960 3/20 0.37
PTGS2 P35354 1/20 0.37
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ACHE P22303 2/20 0.35
TRPV4 Q9HBA0 1/20 0.34

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
SCHEMBL5863596 0.82 ESR1 (0.46) HRH3LTA4HPTGS2KDM4EPOLB
SCHEMBL5863480 0.82 LTA4H (0.40) HRH3LTA4HKCNH2KDM4E
SCHEMBL5863902 0.79 KDM4E (0.40) HRH3KCNH2KDM4EPOLB
SCHEMBL5863824 0.76 LTA4H (0.47) HRH3LTA4HPTGS2KCNH2
SCHEMBL5863827 0.75 LTA4H (0.37) HRH3LTA4HKCNH2KDM4E
SCHEMBL5863302 0.75 LTA4H (0.47) HRH3LTA4HPTGS2KCNH2KDM4E
SCHEMBL5863643 0.75 ESR1 (0.49) LTA4H
SCHEMBL5863662 0.75 LTA4H (0.45) HRH3LTA4HKCNH2
SCHEMBL5864087 0.74 ESR1 (0.45) HRH3LTA4HKCNH2KDM4E
SCHEMBL5864049 0.74 TP53 (0.40) LTA4HKDM4EPOLB

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 HRH3 1036/4885LTA4H 1687/4885PTGS2 278/4885

“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.