SCHEMBL5864087

SCHEMBL5864087

O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N(Cc1ccc(O)cc1Cl)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.45
ESR2 Q92731 8/20 0.45
LTA4H P09960 3/20 0.44
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41
PSMB1 P20618 2/20 0.40
PSMB5 P28074 2/20 0.40
PSMB2 P49721 2/20 0.40
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR2A P28223 1/20 0.39
ABCC1 P33527 1/20 0.38

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
SCHEMBL5864139 0.90 ESR1 (0.46) ESR1ESR2LTA4HHRH3KCNH2
SCHEMBL5863658 0.90 ESR1 (0.46) ESR1ESR2LTA4HHRH3KCNH2
SCHEMBL5863643 0.89 ESR1 (0.49) ESR1ESR2LTA4H
SCHEMBL5863596 0.89 ESR1 (0.46) ESR1ESR2LTA4HHRH3KDM4E
SCHEMBL5863836 0.88 LTA4H (0.46) ESR1ESR2LTA4HHRH3KCNH2
SCHEMBL5863908 0.85 ESR1 (0.48) ESR1ESR2LTA4HHRH3ABCC1
SCHEMBL5863977 0.85 ESR1 (0.44) ESR1ESR2LTA4HHRH3KDM4E
SCHEMBL5863613 0.84 ESR1 (0.41) ESR1ESR2LTA4HABCC1
SCHEMBL5863719 0.84 ESR1 (0.46) ESR1ESR2LTA4HHRH3KCNH2
SCHEMBL5864192 0.82 ESR1 (0.42) ESR1ESR2LTA4HABCC1

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 ESR1 4/4885ESR2 12/4885LTA4H 1687/4885

“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.