SCHEMBL5863789

SCHEMBL5863789

O=S(=O)(c1ccccc1)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.53
HTT P42858 1/20 0.52
ESR1 P03372 3/20 0.50
ESR2 Q92731 2/20 0.50
NR3C1 P04150 1/20 0.49
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
ADAM17 P78536 2/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTR7 P34969 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL5863991 0.92 NR3C1 (0.50) LTA4HHTTESR1ESR2NR3C1
SCHEMBL5863649 0.92 MMP1 (0.51) LTA4HHTTESR1ESR2NR3C1
SCHEMBL5863843 0.92 NR3C1 (0.50) LTA4HHTTESR1ESR2NR3C1
SCHEMBL5863389 0.92 MMP1 (0.57) LTA4HHTTESR1ESR2NR3C1
SCHEMBL5864250 0.92 MMP1 (0.51) LTA4HESR1ESR2NR3C1PTGES
SCHEMBL5863692 0.91 MMP1 (0.51) LTA4HHTTESR1ESR2PTGES
SCHEMBL5863450 0.91 MMP1 (0.47) LTA4HHTTESR1ESR2MMP1
SCHEMBL5863617 0.91 KCNH2 (0.48) LTA4HHTTESR1ESR2MMP1
SCHEMBL5863929 0.91 PGR (0.54) LTA4HHTTESR1ESR2NR3C1
SCHEMBL5864116 0.90 NR3C1 (0.54) LTA4HHTTESR1ESR2NR3C1

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 LTA4H 1687/4885HTT 4548/4885ESR1 4/4885

“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.