SCHEMBL5864026

SCHEMBL5864026

Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(O)cc2Cl)c2ccc(CCCO)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.39
NFE2L2 Q16236 3/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
NR1H4 Q96RI1 2/20 0.35
RORC P51449 1/20 0.35
NR3C1 P04150 2/20 0.34
PGR P06401 2/20 0.34
NR3C2 P08235 2/20 0.34
HCRTR1 O43613 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
CYP2C9 P11712 1/20 0.33
OXTR P30559 1/20 0.33
CYP2C19 P33261 1/20 0.33
AVPR1A P37288 1/20 0.33
HCRTR2 O43614 1/20 0.33
CYTH2 Q99418 1/20 0.33

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
SCHEMBL5863634 0.87 NR1H2 (0.38) KEAP1NFE2L2NR1H2NR1H3NR1H4
SCHEMBL5864051 0.85 ABL1 (0.40) NR1H2NR1H3
SCHEMBL5863647 0.84 RAPGEF4 (0.39) KEAP1NFE2L2NR1H2NR1H3NR1H4
SCHEMBL5864216 0.83 SIGMAR1 (0.40) KEAP1NFE2L2NR1H2NR1H3
SCHEMBL5864868 0.83 SIGMAR1 (0.38)
SCHEMBL5863342 0.82 KEAP1 (0.41) KEAP1NFE2L2CNR1CNR2
SCHEMBL5864171 0.81 HRH3 (0.37)
SCHEMBL6705577 0.81 SLC40A1 (0.33) KEAP1NFE2L2NR1H2NR1H3NR1H4
SCHEMBL5863949 0.80 KEAP1 (0.40) KEAP1NFE2L2NR1H2NR1H3
SCHEMBL5864175 0.80 KEAP1 (0.40) KEAP1NFE2L2NR1H2NR1H3

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 KEAP1 4082/4885NFE2L2 1609/4885NR1H2 196/4885

“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.