SCHEMBL5864080

SCHEMBL5864080

O=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ESR1 P03372 7/20 0.42
ESR2 Q92731 6/20 0.42
LTA4H P09960 7/20 0.41
PTGS2 P35354 2/20 0.41
KDR P35968 2/20 0.40
NR3C1 P04150 1/20 0.40

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
SCHEMBL5864188 0.91 KDM4E (0.39) HTTESR1ESR2LTA4HPTGS2
SCHEMBL5864023 0.88 HTT (0.47) HTTESR1ESR2LTA4HKDR
SCHEMBL5864012 0.87 NR3C1 (0.52) HTTESR1ESR2LTA4HKDR
SCHEMBL5864108 0.85 MMP1 (0.47) HTTESR1ESR2LTA4HKDR
SCHEMBL5864181 0.84 ESR1 (0.46) HTTESR1ESR2LTA4HKDR
SCHEMBL5864310 0.84 HTT (0.44) HTTESR1ESR2LTA4HKDR
SCHEMBL5863789 0.83 LTA4H (0.53) HTTESR1ESR2LTA4HNR3C1
SCHEMBL5863685 0.83 HTT (0.44) HTTESR1ESR2LTA4HKDR
Trifluoroacetic Acid SCHEMBL5864618 0.83 HTT (0.43) HTTESR1ESR2LTA4HKDR
SCHEMBL5863843 0.83 NR3C1 (0.50) HTTESR1ESR2LTA4HNR3C1

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 HTT 4548/4885ESR1 4/4885ESR2 12/4885

“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.