SCHEMBL5982918

SCHEMBL5982918

COc1ccc(S(=O)(=O)N(CC(C)C)c2cccc(C[C@@H](C)CNC(=O)COc3ccccc3C)c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
PTGER1 P34995 4/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP1 P03956 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
ADAM17 P78536 1/20 0.41
HPGD P15428 2/20 0.41
KEAP1 Q14145 3/20 0.41
NFE2L2 Q16236 2/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7257359 0.92 MAPT (0.43) PTGER1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7456019 0.86 PTGER1 (0.41) PTGER1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2581362 0.78 KEAP1 (0.47) KEAP1NFE2L2GAA
SCHEMBL5026438 0.77 PTGER1 (0.38) POLBPTGER1MAPTMEN1KMT2A
SCHEMBL8370091 0.76 KEAP1 (0.45) MEN1KMT2AKEAP1NFE2L2GAA
SCHEMBL7257038 0.76 KEAP1 (0.48) MAPTMEN1KMT2AMMP1MMP9
SCHEMBL7447488 0.73 CYP2C9 (0.43) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5981554 0.72 MCL1 (0.39) MAPTMEN1KMT2AHPGDGAA
SCHEMBL7452491 0.72 KEAP1 (0.50) MMP1MMP9MMP13KEAP1NFE2L2
SCHEMBL6395395 0.71 KEAP1 (0.36) PTGER1MAPTMEN1KMT2ASMN1; SMN2

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-7141609-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-28 US disclosed
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-01 US 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-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP POLB 898/4885PTGER1 3303/4885MAPT 2279/4885

“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.