SCHEMBL5864065

SCHEMBL5864065

O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.52
SERPINE1 P05121 1/20 0.49
ESR1 P03372 3/20 0.47
ESR2 Q92731 2/20 0.47
HRH3 Q9Y5N1 5/20 0.47
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
ADAM17 P78536 2/20 0.46
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL5864126 0.92 LTA4H (0.51) LTA4HSERPINE1ESR1ESR2HRH3
SCHEMBL5863651 0.89 LTA4H (0.53) LTA4HSERPINE1ESR1ESR2HRH3
SCHEMBL5863969 0.89 ESR1 (0.49) LTA4HESR1ESR2HRH3MMP1
SCHEMBL5863850 0.87 MMP1 (0.51) LTA4HESR1ESR2MMP1MMP9
SCHEMBL5864402 0.87 PGR (0.55) LTA4HESR1ESR2HRH3MMP1
SCHEMBL5863970 0.86 ESR1 (0.54) LTA4HESR1ESR2MMP1MMP9
Trifluoroacetic Acid SCHEMBL5864007 0.86 MMP1 (0.49) LTA4HESR1ESR2MMP1MMP9
SCHEMBL5864177 0.85 MMP1 (0.54) LTA4HESR1ESR2HRH3MMP1
SCHEMBL5863719 0.85 ESR1 (0.46) LTA4HESR1ESR2HRH3KCNH2
SCHEMBL5863658 0.85 ESR1 (0.46) LTA4HESR1ESR2HRH3MMP1

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 LTA4H 1687/4885SERPINE1 2435/4885ESR1 4/4885

“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.