SCHEMBL5864216

SCHEMBL5864216

Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(O)cc2Cl)c2ccc(CCCN3CC(C)OC(C)C3)cc2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
NMT1 P30419 3/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
OPRM1 P35372 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL5864868 0.89 SIGMAR1 (0.38) SIGMAR1NMT1OPRM1ALDH1A1
SCHEMBL5864051 0.87 ABL1 (0.40) SIGMAR1NMT1NR1H2NR1H3
SCHEMBL5864110 0.86 NMT1 (0.37) NMT1NR1H2NR1H3ALDH1A1KEAP1
SCHEMBL5864158 0.86 OPRM1 (0.42) SIGMAR1KDM4ENMT1OPRM1
SCHEMBL5864026 0.83 KEAP1 (0.39) NR1H2NR1H3KEAP1NFE2L2
SCHEMBL5864171 0.83 HRH3 (0.37) KDM4EALDH1A1
SCHEMBL5864175 0.80 KEAP1 (0.40) NR1H2NR1H3ALDH1A1KEAP1NFE2L2
SCHEMBL5863949 0.80 KEAP1 (0.40) NR1H2NR1H3ALDH1A1KEAP1NFE2L2
SCHEMBL5863904 0.80 DRD2 (0.38) NMT1KMT2AKEAP1NFE2L2
SCHEMBL5863899 0.80 DRD2 (0.38) NMT1KMT2AKEAP1NFE2L2

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 SIGMAR1 467/4885KDM4E 2815/4885TDP1 3807/4885

“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.