SCHEMBL7456019

SCHEMBL7456019

COc1ccc(S(=O)(=O)N(CC(C)C)c2cccc(C[C@@H](C)CNC(=O)CNc3c(C)cccc3C)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.41
MMP9 P14780 3/20 0.40
MMP1 P03956 3/20 0.40
MMP13 P45452 3/20 0.40
KEAP1 Q14145 4/20 0.38
NFE2L2 Q16236 3/20 0.38
BMP1 P13497 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCL1 Q07820 1/20 0.37
HPGD P15428 1/20 0.37
MMP7 P09237 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 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
SCHEMBL7257359 0.87 MAPT (0.43) PTGER1MMP9MMP1MMP13KEAP1
SCHEMBL5982918 0.86 POLB (0.44) PTGER1MMP9MMP1MMP13KEAP1
SCHEMBL2581362 0.79 KEAP1 (0.47) KEAP1NFE2L2BMP1MCL1
SCHEMBL5026438 0.79 PTGER1 (0.38) PTGER1MMP9MMP1MMP13KEAP1
SCHEMBL8370091 0.77 KEAP1 (0.45) KEAP1NFE2L2MEN1KMT2AMCL1
SCHEMBL7257038 0.75 KEAP1 (0.48) MMP9MMP1MMP13KEAP1NFE2L2
SCHEMBL7452491 0.75 KEAP1 (0.50) MMP9MMP1MMP13KEAP1NFE2L2
SCHEMBL7447488 0.74 CYP2C9 (0.43) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL6395395 0.73 KEAP1 (0.36) PTGER1MMP9MMP1MMP13KEAP1
SCHEMBL5981554 0.71 MCL1 (0.39) MEN1KMT2AMAPTMCL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 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-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP PTGER1 3354/4885MMP9 782/4885MMP1 844/4885

“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.