SCHEMBL5863675

SCHEMBL5863675

Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(OC3CCCCO3)c2)c2ccc(C=CC(=O)O)cc2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.37
NR1H4 Q96RI1 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
DHFR P00374 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MGLL Q99685 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HRH1 P35367 1/20 0.34
FFAR1 O14842 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
SCHEMBL5863236 0.93 NR1H4 (0.40) NR1H4
SCHEMBL5863982 0.91 MAPT (0.37) KEAP1DHFRALDH1A1POLB
SCHEMBL5863601 0.87 DHFR (0.40) KEAP1PTGESALOX5DHFRALDH1A1
SCHEMBL5863823 0.86 CNR2 (0.36) ALOX5ALDH1A1POLB
SCHEMBL5863912 0.86 DHFR (0.40) KEAP1PTGESALOX5DHFRALDH1A1
SCHEMBL5863950 0.84 MMP9 (0.41) KEAP1PTGESALOX5DHFRALDH1A1
SCHEMBL3629241 0.84 KEAP1 (0.37) KEAP1PTGESALOX5DHFRALDH1A1
SCHEMBL5864163 0.82 DHFR (0.39) KEAP1PTGESALOX5DHFRALDH1A1
SCHEMBL5863962 0.80 LTA4H (0.40) KEAP1DHFRALDH1A1
SCHEMBL5863735 0.78 AKR1C3 (0.41) KEAP1PTGESALDH1A1GAA

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 4082/4885NR1H4 221/4885PTGES 222/4885

“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.