SCHEMBL2582313

SCHEMBL2582313

CC(C)CCN(c1cccc(CNC(=O)[C@H](CC(N)=O)N(Cc2ccccc2)C(=O)O)c1O)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
MMP8 P22894 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
PSMB5 P28074 1/20 0.33
RORC P51449 2/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL2586972 0.92 RORC (0.36) MMP8MEN1KMT2ATRPV1RORC
SCHEMBL3862542 0.77 MMP8 (0.42) MMP8PSMB5RORCMMP2MMP9
SCHEMBL7453712 0.70 TP53 (0.38) TP53MEN1KMT2AL3MBTL1MMP2
SCHEMBL5981554 0.64 MCL1 (0.39) TP53MEN1KMT2A
SCHEMBL5996194 0.63 CYP2C8 (0.40) RORC
SCHEMBL7255108 0.63 KEAP1 (0.46) MMP9
SCHEMBL8176308 0.61 POLB (0.36) TP53MEN1KMT2AL3MBTL1
SCHEMBL7449311 0.60 MEN1 (0.33) MEN1KMT2AMMP2MMP9
Carbamic Acid SCHEMBL7116890 0.60 KMT2A (0.69) MEN1KMT2AL3MBTL1
SCHEMBL17258939 0.60 TP53 (0.50) TP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US disclosed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US disclosed
US-6534493-B1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE 2003-03-18 US disclosed
US-6472407-B1 α and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2002-10-29 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-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP TP53 1482/4885MMP8 635/4885MEN1 3710/4885

“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.