SCHEMBL5864009

SCHEMBL5864009

O=C(Oc1ccc(CN(c2ccc(OCCN3CCCC3)cc2)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.51
MMP9 P14780 2/20 0.51
MMP13 P45452 2/20 0.51
ADAM17 P78536 2/20 0.51
LTA4H P09960 8/20 0.47
HTT P42858 1/20 0.46
NR3C1 P04150 2/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 1/20 0.45
RORC P51449 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL5864007 0.91 MMP1 (0.49) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863970 0.88 ESR1 (0.54) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5864177 0.83 MMP1 (0.54) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863623 0.82 NR3C1 (0.53) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863651 0.82 LTA4H (0.53) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5864065 0.81 LTA4H (0.52) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863775 0.81 NR3C1 (0.51) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863789 0.80 LTA4H (0.53) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5864346 0.79 MMP1 (0.51) MMP1MMP9MMP13ADAM17LTA4H
SCHEMBL5863969 0.79 ESR1 (0.49) MMP1MMP9MMP13ADAM17LTA4H

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 MMP1 1746/4885MMP9 2415/4885MMP13 2401/4885

“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.