SCHEMBL5863977

SCHEMBL5863977

O=S(=O)(c1ccc(F)c(F)c1F)N(Cc1ccc(O)cc1Cl)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.44
ESR2 Q92731 13/20 0.44
ABCC1 P33527 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
LTA4H P09960 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL5863908 0.90 ESR1 (0.48) ESR1ESR2ABCC1LTA4HHRH3
SCHEMBL5863643 0.89 ESR1 (0.49) ESR1ESR2LTA4H
SCHEMBL5863596 0.89 ESR1 (0.46) ESR1ESR2ABCC1KDM4EPOLB
SCHEMBL5864271 0.86 ESR1 (0.44) ESR1ESR2LTA4HHRH3
SCHEMBL5864087 0.85 ESR1 (0.45) ESR1ESR2ABCC1KDM4ELTA4H
SCHEMBL5863786 0.85 HTT (0.42) ESR1ESR2KDM4ELTA4H
SCHEMBL5864192 0.84 ESR1 (0.42) ESR1ESR2ABCC1LTA4HPTGS2
SCHEMBL5863997 0.84 MMP1 (0.44) ESR1ESR2ABCC1LTA4HPTGS2
SCHEMBL5863730 0.84 ESR1 (0.50) ESR1ESR2KDM4EPOLBLTA4H
SCHEMBL5864170 0.82 MMP1 (0.50) ESR1ESR2LTA4HHRH3

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 12/4885ABCC1 3063/4885

“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.