SCHEMBL5863769

SCHEMBL5863769

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.52
PDK2 Q15119 2/20 0.48
PDK3 Q15120 2/20 0.48
PDK4 Q16654 2/20 0.48
LTA4H P09960 3/20 0.48
KDR P35968 2/20 0.47
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
ESR1 P03372 6/20 0.44
ESR2 Q92731 5/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
MET P08581 1/20 0.43
HRH3 Q9Y5N1 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
SCHEMBL5863430 0.85 HTT (0.55) PDK1PDK2PDK3PDK4LTA4H
SCHEMBL5863865 0.82 PDK1 (0.44) PDK1PDK2PDK3PDK4LTA4H
SCHEMBL5864005 0.81 LTA4H (0.47) PDK1LTA4HKDRHTTKCNH2
SCHEMBL5863666 0.80 ESR1 (0.51) PDK1PDK2PDK3PDK4LTA4H
SCHEMBL5863869 0.78 LTA4H (0.48) LTA4HKDRHTTKCNH2MCHR1
SCHEMBL5863563 0.78 LTA4H (0.48) LTA4HKDRHTTKCNH2MCHR1
SCHEMBL5864070 0.78 LTA4H (0.43) PDK1PDK2PDK3PDK4LTA4H
SCHEMBL5863929 0.78 PGR (0.54) LTA4HKDRHTTKCNH2MCHR1
SCHEMBL5863991 0.76 NR3C1 (0.50) LTA4HHTTKCNH2MCHR1ESR1
SCHEMBL5864229 0.76 LTA4H (0.45) PDK1LTA4HKDRHTTKCNH2

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 4 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
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 PDK1 3468/4885PDK2 4004/4885PDK3 4168/4885

“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.