SCHEMBL5863517

SCHEMBL5863517

Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(OC3CCCCO3)cc2Cl)c2ccc(I)cc2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
RECQL P46063 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL5863912 0.85 DHFR (0.40) ALDH1A1NPSR1GAADHFR
SCHEMBL5863872 0.79 CNR2 (0.44) KDM4EALDH1A1NPSR1CNR1CNR2
SCHEMBL5863601 0.76 DHFR (0.40) ALDH1A1GAADHFR
SCHEMBL5863950 0.75 MMP9 (0.41) ALDH1A1NPSR1GAADHFR
SCHEMBL5863647 0.75 RAPGEF4 (0.39) TSHRNR1H2NR1H3GAARAPGEF4
SCHEMBL5864163 0.75 DHFR (0.39) TP53ALDH1A1NPSR1GAADHFR
SCHEMBL5864090 0.73 MMP1 (0.42)
SCHEMBL5863842 0.73 PTGS2 (0.39)
SCHEMBL5863962 0.73 LTA4H (0.40) KDM4EALDH1A1DHFR
SCHEMBL3629241 0.72 KEAP1 (0.37) MAPK1ALDH1A1GAADHFR

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 TP53 1653/4885TSHR 21/4885MAPK1 679/4885

“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.