SCHEMBL5863628

SCHEMBL5863628

Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(O)c2)c2ccc(CCC=O)cc2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.38
NFE2L2 Q16236 2/20 0.38
CNR1 P21554 5/20 0.38
CNR2 P34972 5/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
STAT5B P51692 1/20 0.36
ESR1 P03372 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PTGER1 P34995 1/20 0.36
NR3C1 P04150 2/20 0.35
GPR55 Q9Y2T6 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL5863342 0.86 KEAP1 (0.41) KEAP1NFE2L2CNR1CNR2HSD17B1
SCHEMBL5863989 0.85 PTGES (0.49) KEAP1NFE2L2STAT5BPTGESALOX5
SCHEMBL5864001 0.84 PTPN1 (0.41) KEAP1NFE2L2STAT5BPTGER1GPR55
SCHEMBL5864114 0.84 RAPGEF4 (0.41) KEAP1NFE2L2CNR1CNR2HSD17B1
SCHEMBL5863634 0.83 NR1H2 (0.38) KEAP1NFE2L2CNR1CNR2STAT5B
SCHEMBL5864104 0.81 OPRM1 (0.41) KEAP1ALDH1A1
SCHEMBL5863804 0.80 HRH1 (0.41) KEAP1CNR2KMT2AALDH1A1
SCHEMBL5863737 0.80 AKR1C3 (0.41) KEAP1NFE2L2STAT5BESR1GPR55
SCHEMBL5863735 0.80 AKR1C3 (0.41) KEAP1NFE2L2STAT5BESR1GPR55
SCHEMBL5864179 0.78 SIGMAR1 (0.42) KMT2AALDH1A1LMNA

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 1609/4885CNR1 81/4885

“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.