SCHEMBL5864183

SCHEMBL5864183

Cc1ccc(F)cc1S(=O)(=O)N(Cc1ccc(O)cc1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.50
ESR2 Q92731 7/20 0.50
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
ADAM17 P78536 2/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MCHR1 Q99705 2/20 0.43
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
LTA4H P09960 1/20 0.43
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42

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
SCHEMBL5863889 0.91 MMP1 (0.47) ESR1ESR2MMP1MMP9MMP13
SCHEMBL5864218 0.90 MMP1 (0.53) ESR1ESR2MMP1MMP9MMP13
SCHEMBL5863990 0.90 MMP1 (0.46) ESR1ESR2MMP1MMP9MMP13
SCHEMBL5863890 0.89 ESR1 (0.51) ESR1ESR2MMP1MMP9MMP13
SCHEMBL5863859 0.88 ESR1 (0.50) ESR1ESR2MCHR1KCNH2HRH3
SCHEMBL5864016 0.87 MMP1 (0.51) ESR1ESR2MMP1MMP9MMP13
SCHEMBL5863775 0.85 NR3C1 (0.51) ESR1ESR2MMP1MMP9MMP13
SCHEMBL5863988 0.84 MMP1 (0.54) ESR1ESR2MMP1MMP9MMP13
SCHEMBL5863969 0.84 ESR1 (0.49) ESR1ESR2MMP1MMP9MMP13
SCHEMBL5863336 0.84 MMP1 (0.49) ESR1ESR2MMP1MMP9MMP13

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 12/4885MMP1 1746/4885

“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.