SCHEMBL5863830

SCHEMBL5863830

Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(O)c(C)c2)c2ccc(OCCN3CCCC3)cc2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
ADAM17 P78536 2/20 0.46
HRH3 Q9Y5N1 5/20 0.43
KCNH2 Q12809 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
PSMB1 P20618 3/20 0.41
PSMB5 P28074 3/20 0.41
PSMB2 P49721 3/20 0.41
LTA4H P09960 3/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5863336 0.91 MMP1 (0.49) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL5863620 0.89 MMP1 (0.53) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL5863578 0.88 MMP1 (0.45) MMP1MMP9MMP13ADAM17PDK1
SCHEMBL5863826 0.88 MMP1 (0.46) MMP1MMP9MMP13ADAM17PDK1
SCHEMBL5864346 0.87 MMP1 (0.51) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL5863616 0.85 HRH3 (0.43) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL5864344 0.84 PGR (0.47) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL5863972 0.84 LTA4H (0.48) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL5863635 0.81 MMP1 (0.38) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL5864090 0.80 MMP1 (0.42) MMP1MMP9MMP13ADAM17HRH3

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.