SCHEMBL5863336

SCHEMBL5863336

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.49
MMP9 P14780 2/20 0.49
MMP13 P45452 2/20 0.49
ADAM17 P78536 2/20 0.49
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
MAPT P10636 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
ESR1 P03372 12/20 0.44
ESR2 Q92731 9/20 0.44
MLNR O43193 1/20 0.44
ABCB11 O95342 1/20 0.44

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
SCHEMBL5863830 0.91 MMP1 (0.46) MMP1MMP9MMP13ADAM17PDK1
SCHEMBL5863578 0.90 MMP1 (0.45) MMP1MMP9MMP13ADAM17PDK1
SCHEMBL5863826 0.89 MMP1 (0.46) MMP1MMP9MMP13ADAM17PDK1
SCHEMBL5863758 0.88 MMP1 (0.46) MMP1MMP9MMP13ADAM17PDK1
SCHEMBL5863889 0.87 MMP1 (0.47) MMP1MMP9MMP13ADAM17PDK1
SCHEMBL5864219 0.87 KMT2A (0.55) MMP1MMP9MMP13ADAM17GRIN2D
SCHEMBL5863616 0.85 HRH3 (0.43) MMP1MMP9MMP13ADAM17PDK1
SCHEMBL5863850 0.85 MMP1 (0.51) MMP1MMP9MMP13ADAM17PDK1
SCHEMBL5864177 0.85 MMP1 (0.54) MMP1MMP9MMP13ADAM17ESR1
SCHEMBL5864016 0.85 MMP1 (0.51) MMP1MMP9MMP13ADAM17PDK1

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 6 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 claimed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US claimed
US-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO 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.