SCHEMBL5864067

SCHEMBL5864067

CC(c1ccc(OC2CCCCO2)cc1)N(c1ccc(OCCN2CCCC2)cc1)S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
PSEN1 P49768 8/20 0.41
PSEN2 P49810 8/20 0.41
APH1B Q8WW43 8/20 0.41
NCSTN Q92542 8/20 0.41
APH1A Q96BI3 8/20 0.41
PSENEN Q9NZ42 8/20 0.41
HRH3 Q9Y5N1 3/20 0.40
PSMB1 P20618 1/20 0.39
PSMB5 P28074 1/20 0.39
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LTA4H P09960 1/20 0.37
KCNH2 Q12809 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL5864059 0.84 PSMB1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5864101 0.84 PSEN1 (0.46) HTR1AHTR7PSEN1PSEN2APH1B
SCHEMBL5863662 0.74 LTA4H (0.45) HTR1AHTR7HRH3MEN1LTA4H
SCHEMBL5863480 0.73 LTA4H (0.40) HRH3PSMB1PSMB5LTA4HKCNH2
SCHEMBL5863669 0.72 PSMB1 (0.49) HRH3PSMB1PSMB5AXLALDH1A1
SCHEMBL5863672 0.72 HRH3 (0.37) HRH3LTA4HKCNH2PTGS2
SCHEMBL6151300 0.71 LTA4H (0.43) HRH3AXLMERTKLTA4HKCNH2
SCHEMBL5863622 0.71 MMP1 (0.51) HRH3ALDH1A1LTA4HKCNH2
SCHEMBL5863837 0.71 LTA4H (0.38) HRH3PSMB1PSMB5MEN1KMT2A
SCHEMBL5864090 0.70 MMP1 (0.42) HRH3PSMB1PSMB5LTA4HKCNH2

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 HTR1A 1005/4885HTR7 2347/4885PSEN1 1564/4885

“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.