SCHEMBL5863797

SCHEMBL5863797

COc1ccc(S(=O)(=O)N(Cc2ccc(O)cc2)c2ccc(OCCN3CCCC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.61
MMP9 P14780 6/20 0.61
MMP13 P45452 6/20 0.61
ADAM17 P78536 3/20 0.61
CNR2 P34972 4/20 0.56
CNR1 P21554 3/20 0.56
LTA4H P09960 1/20 0.54
NR3C1 P04150 1/20 0.51
PGR P06401 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
KCNH2 Q12809 2/20 0.47
MCHR1 Q99705 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.47

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
Hydrochloric Acid SCHEMBL5863582 0.99 MMP1 (0.60) MMP1MMP9MMP13ADAM17CNR2
SCHEMBL5864177 0.95 MMP1 (0.54) MMP1MMP9MMP13ADAM17CNR2
SCHEMBL5864219 0.92 KMT2A (0.55) MMP1MMP9MMP13ADAM17CNR2
SCHEMBL5863802 0.90 LTA4H (0.54) MMP1MMP9MMP13ADAM17CNR2
SCHEMBL5863775 0.90 NR3C1 (0.51) MMP1MMP9MMP13ADAM17CNR2
SCHEMBL5863970 0.90 ESR1 (0.54) MMP1MMP9MMP13ADAM17CNR2
SCHEMBL5863577 0.90 MMP1 (0.50) MMP1MMP9MMP13ADAM17CNR2
SCHEMBL5863633 0.90 KDM4E (0.56) MMP1MMP9MMP13ADAM17CNR2
SCHEMBL5863389 0.89 MMP1 (0.57) MMP1MMP9MMP13ADAM17CNR2
SCHEMBL5864209 0.89 NR3C1 (0.54) MMP1MMP9MMP13ADAM17LTA4H

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 MMP1 1746/4885MMP9 2415/4885MMP13 2401/4885

“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.