SCHEMBL5863635

SCHEMBL5863635

Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(OC3CCCCO3)c(C)c2)c2ccc(OCCN3CCCC3)cc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.38
MMP9 P14780 2/20 0.38
MMP13 P45452 2/20 0.38
ADAM17 P78536 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 2/20 0.36
HRH3 Q9Y5N1 5/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAOB P27338 1/20 0.35
PSMB1 P20618 1/20 0.34
PSMB5 P28074 1/20 0.34
PSMB2 P49721 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL5864090 0.92 MMP1 (0.42) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863962 0.90 LTA4H (0.40) MMP1MMP9MMP13ADAM17SMN1; SMN2
SCHEMBL5863842 0.88 PTGS2 (0.39) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863830 0.81 MMP1 (0.46) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863336 0.79 MMP1 (0.49) MMP1MMP9MMP13ADAM17HRH3
SCHEMBL5864059 0.79 PSMB1 (0.39) SMN1; SMN2HRH3KCNH2KDM4EPSMB1
SCHEMBL5864163 0.79 DHFR (0.39) MMP1MMP9MMP13ADAM17
SCHEMBL5863622 0.78 MMP1 (0.51) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863872 0.78 CNR2 (0.44) MMP1MMP13KDM4E
SCHEMBL5863662 0.78 LTA4H (0.45) 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 4 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
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.