SCHEMBL5863950

SCHEMBL5863950

Cc1cc(C)c(S(=O)(=O)N(Cc2cccc(OC3CCCCO3)c2)c2ccc(OCc3ccccc3)cc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ADAM17 P78536 1/20 0.41
DHFR P00374 1/20 0.39
NR3C1 P04150 2/20 0.39
ALDH1A1 P00352 4/20 0.38
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
GRM2 Q14416 1/20 0.38
PGR P06401 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSPO P30536 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN12 Q05209 1/20 0.36

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
SCHEMBL5863601 0.90 DHFR (0.40) DHFRNR3C1ALDH1A1PTGESALOX5
SCHEMBL5864163 0.90 DHFR (0.39) MMP9MMP13ADAM17DHFRNR3C1
SCHEMBL5863912 0.88 DHFR (0.40) DHFRNR3C1ALDH1A1PTGESALOX5
SCHEMBL5863962 0.87 LTA4H (0.40) MMP9MMP13ADAM17DHFRALDH1A1
SCHEMBL5863675 0.84 KEAP1 (0.37) DHFRALDH1A1PTGESALOX5KEAP1
SCHEMBL3629241 0.83 KEAP1 (0.37) DHFRALDH1A1PTGESALOX5KEAP1
SCHEMBL5863236 0.82 NR1H4 (0.40)
SCHEMBL5863872 0.81 CNR2 (0.44) MMP13NR3C1ALDH1A1PGRLMNA
SCHEMBL5863982 0.80 MAPT (0.37) DHFRALDH1A1LMNASMN1; SMN2KEAP1
SCHEMBL5864090 0.78 MMP1 (0.42) MMP9MMP13ADAM17

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 MMP9 2415/4885MMP13 2401/4885ADAM17 1669/4885

“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.