SCHEMBL5863480

SCHEMBL5863480

O=S(=O)(c1ccc(C(F)(F)F)cc1Cl)N(Cc1ccc(OC2CCCCO2)cc1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.40
KCNH2 Q12809 3/20 0.39
MCHR1 Q99705 1/20 0.39
HRH3 Q9Y5N1 5/20 0.37
ESR1 P03372 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PSMB1 P20618 2/20 0.35
PSMB5 P28074 2/20 0.35
PSMB2 P49721 2/20 0.35
DRD2 P14416 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
HTR2A P28223 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
SCHEMBL5863658 0.85 ESR1 (0.46) LTA4HKCNH2MCHR1HRH3ESR1
SCHEMBL5863672 0.82 HRH3 (0.37) LTA4HKCNH2HRH3KDM4E
SCHEMBL5863662 0.81 LTA4H (0.45) LTA4HKCNH2HRH3MMP1MMP9
SCHEMBL5864090 0.80 MMP1 (0.42) LTA4HKCNH2HRH3PSMB1PSMB5
SCHEMBL5863836 0.80 LTA4H (0.46) LTA4HKCNH2MCHR1HRH3ESR1
SCHEMBL5863874 0.80 MMP1 (0.44) LTA4HKCNH2HRH3ESR1MMP1
SCHEMBL5863622 0.80 MMP1 (0.51) LTA4HKCNH2HRH3MMP1MMP9
SCHEMBL5863719 0.79 ESR1 (0.46) LTA4HKCNH2MCHR1HRH3ESR1
SCHEMBL5864087 0.78 ESR1 (0.45) LTA4HKCNH2MCHR1HRH3ESR1
SCHEMBL5864000 0.77 LTA4H (0.36) LTA4HKDM4EMMP1MMP9MMP13

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 LTA4H 1687/4885KCNH2 1736/4885MCHR1 1402/4885

“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.