SCHEMBL5863596

SCHEMBL5863596

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 12/20 0.46
ESR2 Q92731 11/20 0.46
HRH3 Q9Y5N1 2/20 0.43
LTA4H P09960 2/20 0.43
PTGS2 P35354 1/20 0.43
ABCC1 P33527 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 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
SCHEMBL5863643 0.91 ESR1 (0.49) ESR1ESR2LTA4H
SCHEMBL5863824 0.89 LTA4H (0.47) ESR1ESR2HRH3LTA4HPTGS2
SCHEMBL5864087 0.89 ESR1 (0.45) ESR1ESR2HRH3LTA4HABCC1
SCHEMBL5863977 0.89 ESR1 (0.44) ESR1ESR2HRH3LTA4HPTGS2
SCHEMBL5863908 0.87 ESR1 (0.48) ESR1ESR2HRH3LTA4HABCC1
SCHEMBL5863563 0.87 LTA4H (0.48) ESR1ESR2HRH3LTA4HPTGS2
SCHEMBL5864192 0.86 ESR1 (0.42) ESR1ESR2LTA4HPTGS2ABCC1
SCHEMBL5863997 0.86 MMP1 (0.44) ESR1ESR2LTA4HPTGS2ABCC1
SCHEMBL5863730 0.86 ESR1 (0.50) ESR1ESR2LTA4HKDM4EPOLB
SCHEMBL5863788 0.85 ESR1 (0.44) ESR1ESR2ABCC1

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 8 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 claimed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP claimed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US claimed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO claimed
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 ESR1 4/4885ESR2 12/4885HRH3 1036/4885

“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.