SCHEMBL5864049

SCHEMBL5864049

Cc1cccc(C(=O)N(Cc2ccc(OC3CCCCO3)cc2Cl)c2ccc(OCCN3CCCC3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
ESR1 P03372 4/20 0.37
ESR2 Q92731 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 2/20 0.37
PDK1 Q15118 2/20 0.37
LTA4H P09960 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
MAPT P10636 1/20 0.35
MLNR O43193 3/20 0.35
PSMB1 P20618 2/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5863902 0.84 KDM4E (0.40) ESR1ESR2KDM4EPOLBPSMB1
SCHEMBL5863542 0.84 PDK1 (0.48) TP53ESR1ESR2PDK1LTA4H
SCHEMBL5863837 0.83 LTA4H (0.38) ESR1ESR2LTA4HL3MBTL1HRH2
SCHEMBL5863865 0.79 PDK1 (0.44) TP53KDM4EPOLBPDK1LTA4H
SCHEMBL6152313 0.78 PDK1 (0.47) ESR1ESR2KDM4EPOLBPDK1
SCHEMBL5863736 0.76 EPHX2 (0.46) ESR1ESR2KDM4EPOLBLTA4H
SCHEMBL5864263 0.75 LTA4H (0.52) ESR1ESR2KDM4EPOLBPDK1
SCHEMBL5863672 0.74 HRH3 (0.37) KDM4EPOLBLTA4H
SCHEMBL5863302 0.73 LTA4H (0.47) KDM4EPOLBLTA4H
SCHEMBL5863668 0.72 KDR (0.60) LTA4HMAPTSMN1; SMN2

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 TP53 1653/4885ESR1 4/4885ESR2 12/4885

“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.