SCHEMBL5864059

SCHEMBL5864059

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HRH3 Q9Y5N1 6/20 0.37
KCNH2 Q12809 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35

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 0.84 MMP1 (0.42) PSMB1PSMB5HRH3KCNH2
SCHEMBL5864067 0.84 HTR1A (0.41) PSMB1PSMB5ALDH1A1HRH3KCNH2
SCHEMBL5863681 0.84 PSMB1 (0.46) PSMB1PSMB5ALDH1A1KDM4EESR1
SCHEMBL5863962 0.80 LTA4H (0.40) ALDH1A1KDM4EHRH3KCNH2SMN1; SMN2
SCHEMBL5863635 0.79 MMP1 (0.38) PSMB1PSMB5KDM4EHRH3KCNH2
SCHEMBL5863842 0.79 PTGS2 (0.39) HRH3KCNH2MEN1KMT2AESR1
SCHEMBL5863669 0.73 PSMB1 (0.49) PSMB1PSMB5ALDH1A1KDM4EHRH3
SCHEMBL5863837 0.73 LTA4H (0.38) PSMB1PSMB5HRH3KCNH2MEN1
SCHEMBL5863622 0.71 MMP1 (0.51) ALDH1A1HRH3KCNH2
SCHEMBL5863662 0.71 LTA4H (0.45) HRH3KCNH2MEN1

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 PSMB1 2557/4885PSMB5 1457/4885ALDH1A1 2596/4885

“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.