SCHEMBL7455250

SCHEMBL7455250

CC(C)CCN(c1cccc(C[C@@H](C)CNC(=O)[C@@H](NC(=O)O)C(C)(C)C)c1O)S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.37
MMP1 P03956 2/20 0.37
MAPT P10636 1/20 0.35
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL7458008 0.91 TP53 (0.32) ADAM17MMP1MEN1KMT2AMMP2
SCHEMBL5981554 0.88 MCL1 (0.39) MAPTBCL2L1MCL1PSEN1PSEN2
SCHEMBL4854967 0.79 ESR1 (0.44) MAPTMEN1KMT2AL3MBTL1
SCHEMBL5996194 0.78 CYP2C8 (0.40) BCL2L1MCL1PSEN1PSEN2APH1B
SCHEMBL5026438 0.77 PTGER1 (0.38) MMP1MAPTHPGDMEN1KMT2A
SCHEMBL7453712 0.77 TP53 (0.38) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL7455149 0.77 TP53 (0.38) MAPTHPGDMEN1KMT2AALDH1A1
SCHEMBL7449299 0.77 CA1 (0.43) MMP1MMP2MMP3MMP9MMP14
SCHEMBL5981676 0.76 CTSD (0.41) ALDH1A1LMNAMMP2MMP13TP53
SCHEMBL6375010 0.75 MCL1 (0.39) BCL2L1MCL1HPGDMMP2

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 disclosed
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 ADAM17 229/4885MMP1 844/4885MAPT 2442/4885

“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.