SCHEMBL5863594

SCHEMBL5863594

O=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.49
LTA4H P09960 4/20 0.49
KCNH2 Q12809 2/20 0.47
MCHR1 Q99705 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP1 P03956 2/20 0.46
MMP9 P14780 2/20 0.46
MMP13 P45452 2/20 0.46
ADAM17 P78536 2/20 0.46
ESR1 P03372 3/20 0.45
ESR2 Q92731 2/20 0.45
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43

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
SCHEMBL5864126 0.92 LTA4H (0.51) HRH3LTA4HKCNH2MCHR1MMP1
SCHEMBL5864012 0.91 NR3C1 (0.52) HRH3LTA4HKCNH2MMP1MMP9
SCHEMBL5863913 0.91 KDM4E (0.52) HRH3LTA4HKCNH2MMP1MMP9
SCHEMBL5863843 0.90 NR3C1 (0.50) HRH3LTA4HKCNH2MCHR1L3MBTL1
SCHEMBL5863651 0.89 LTA4H (0.53) HRH3LTA4HKCNH2MCHR1L3MBTL1
SCHEMBL5863789 0.89 LTA4H (0.53) LTA4HKCNH2MCHR1L3MBTL1MMP1
SCHEMBL5863389 0.89 MMP1 (0.57) HRH3LTA4HMMP1MMP9MMP13
SCHEMBL5863649 0.89 MMP1 (0.51) HRH3LTA4HKCNH2MMP1MMP9
SCHEMBL5864250 0.89 MMP1 (0.51) HRH3LTA4HMMP1MMP9MMP13
SCHEMBL5863991 0.89 NR3C1 (0.50) HRH3LTA4HKCNH2MCHR1MMP1

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 HRH3 1036/4885LTA4H 1687/4885KCNH2 1736/4885

“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.