SCHEMBL2579843

SCHEMBL2579843

CC(C)CN(c1cccc(C[C@@H](C)CN(Cc2ccccc2)C(=O)O)c1O)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.43
PSEN1 P49768 3/20 0.43
PSEN2 P49810 3/20 0.43
APH1B Q8WW43 3/20 0.43
NCSTN Q92542 3/20 0.43
APH1A Q96BI3 3/20 0.43
PSENEN Q9NZ42 3/20 0.43
ADAMTS5 Q9UNA0 1/20 0.42
TEAD1 P28347 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TAS2R14 Q9NYV8 2/20 0.40
CXCR3 P49682 1/20 0.40
TP53 P04637 1/20 0.40
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 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
SCHEMBL2577766 0.91 MCL1 (0.44) RORCTEAD1MEN1KMT2ATAS2R14
SCHEMBL7255192 0.91 ACHE (0.43) RORCTEAD1MEN1KMT2ANR3C1
SCHEMBL7257038 0.89 KEAP1 (0.48) MEN1KMT2ATAS2R14CXCR3NR3C1
SCHEMBL7252238 0.88 MAPT (0.52) RORCMEN1KMT2ATAS2R14NR3C1
SCHEMBL7455279 0.83 TEAD1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7255108 0.82 KEAP1 (0.46) TAS2R14CXCR3NR3C1PGRKEAP1
SCHEMBL7256988 0.79 MCL1 (0.43) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL13673927 0.79 RORC (0.45) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL7458622 0.77 RORC (0.45) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL2581868 0.77 TAS2R14 (0.43) TAS2R14CXCR3NR3C1PGRKEAP1

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-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 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 RORC 3583/4885PSEN1 192/4885PSEN2 468/4885

“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.