SCHEMBL7255108

SCHEMBL7255108

COc1ccc(S(=O)(=O)N(CCC(C)C)c2cccc(C[C@@H](C)CN(Cc3ccccc3)C(=O)O)c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.46
NFE2L2 Q16236 3/20 0.46
MMP9 P14780 9/20 0.46
MMP13 P45452 7/20 0.46
MMP1 P03956 7/20 0.46
LMNA P02545 2/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TAS2R14 Q9NYV8 2/20 0.42
PTGES O14684 1/20 0.42
TAS2R8 Q9NYW2 1/20 0.42
CXCR3 P49682 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL7257038 0.93 KEAP1 (0.48) KEAP1NFE2L2MMP9MMP13MMP1
SCHEMBL7455279 0.83 TEAD1 (0.43) KEAP1NFE2L2LMNAMAPT
SCHEMBL2579843 0.82 RORC (0.43) KEAP1NFE2L2NR3C1PGRTAS2R14
SCHEMBL2577766 0.82 MCL1 (0.44) KEAP1NFE2L2NR3C1TAS2R14MAPT
SCHEMBL7255192 0.82 ACHE (0.43) NR3C1MAPT
SCHEMBL2581868 0.81 TAS2R14 (0.43) KEAP1NFE2L2MMP9MMP13MMP1
SCHEMBL7252238 0.80 MAPT (0.52) KEAP1NFE2L2LMNANR3C1ALDH1A1
SCHEMBL5996194 0.77 CYP2C8 (0.40) KEAP1NFE2L2LMNA
SCHEMBL2581362 0.76 KEAP1 (0.47) KEAP1NFE2L2
SCHEMBL5981554 0.76 MCL1 (0.39) LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US claimed
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2003-10-09 US claimed

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-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP KEAP1 4367/4885NFE2L2 3961/4885MMP9 782/4885

“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.