SCHEMBL5863904

SCHEMBL5863904

COCC1CCCN1CCCc1ccc(N(Cc2ccc(O)cc2Cl)S(=O)(=O)c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
TRPV6 Q9H1D0 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
KCNH2 Q12809 1/20 0.35
CASP3 P42574 1/20 0.34
CASP7 P55210 1/20 0.34
KEAP1 Q14145 4/20 0.34
VEGFA P15692 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
NFE2L2 Q16236 1/20 0.33
NMT1 P30419 2/20 0.33
SPHK1 Q9NYA1 4/20 0.33
SPHK2 Q9NRA0 1/20 0.33
KMT2A Q03164 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
SCHEMBL5863899 1.00 DRD2 (0.38) DRD2DRD3TRPV6HDAC8HDAC6
SCHEMBL5863928 0.89 DRD2 (0.34) DRD2DRD3KEAP1NFE2L2NMT1
SCHEMBL5864175 0.87 KEAP1 (0.40) DRD2DRD3KEAP1NFE2L2
SCHEMBL5863949 0.87 KEAP1 (0.40) DRD2DRD3KEAP1NFE2L2
SCHEMBL5864171 0.87 HRH3 (0.37) HRH3KCNH2
SCHEMBL5864051 0.83 ABL1 (0.40) NMT1
SCHEMBL5864868 0.83 SIGMAR1 (0.38) HRH3NMT1
SCHEMBL5864110 0.80 NMT1 (0.37) KEAP1NFE2L2NMT1
SCHEMBL5864216 0.80 SIGMAR1 (0.40) KEAP1NFE2L2NMT1KMT2A
SCHEMBL5864026 0.80 KEAP1 (0.39) KEAP1NFE2L2

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 8 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 claimed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP claimed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US claimed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 WO claimed
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 DRD2 2672/4885DRD3 3048/4885TRPV6 459/4885

“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.