Sugi Predict

Sugi Predict / Compounds / SCHEMBL2576409

SCHEMBL2576409

SCHEMBL2576409

CC(C)CN(C[C@H](O)CNCc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.50
▸ LMNA P02545 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEP1B Q16820 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TAS2R14 Q9NYV8 1/20 0.46
▸ KEAP1 Q14145 1/20 0.45
▸ NFE2L2 Q16236 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ SPPL2A Q8TCT8 1/20 0.43

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
SCHEMBL4975359 0.98 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMEP1BGAA
SCHEMBL2576422 0.87 MMP2 (0.48) ALDH1A1LMNAMAPTGAAHTT
SCHEMBL2575811 0.83 TAS2R14 (0.49) TAS2R14KMT2ASPPL2A
SCHEMBL2578865 0.81 MMP13 (0.48) TAS2R14SPPL2A
SCHEMBL2582404 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPTMEP1BGAA
SCHEMBL2585363 0.81 MLNR (0.50) LMNATAS2R14SPPL2A
SCHEMBL2578170 0.80 SPPL2A (0.48) LMNATAS2R14SPPL2A
SCHEMBL4973149 0.80 SPPL2A (0.69) ALDH1A1LMNAMAPTMEP1BGAA
SCHEMBL4787816 0.80 SPPL2A (0.69) ALDH1A1LMNAMAPTMEP1BGAA
SCHEMBL4911178 0.79 SPPL2A (0.66) ALDH1A1LMNAMAPTMEP1BGAA

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 90 patents — showing the first 20. 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-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-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 — — US disclosed
US-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-07-24 — — US disclosed
US-20080118969-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2008-05-22 — — US disclosed
US-7339078-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-03-04 — — US disclosed
EP-0804428-B1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS SEARLE LLC (US) 2007-12-26 — — EP disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 — — US disclosed
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide G.D. SEARLE & CO. (US) 2007-02-15 — — US disclosed
US-7161033-B2 Bis-amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 2007-01-09 — — US disclosed
EP-0813519-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-12-29 — — EP disclosed
EP-0804428-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 — — EP disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 — — WO disclosed
WO-1996028464-A1 BIS-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
WO-1996028418-A1 SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
WO-1996028463-A1 AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
WO-1996028465-A1 HETEROCYCLECARBONYL AMINO ACID HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-09-19 — — WO disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 — — WO disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 — — EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 — — WO 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 (2 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-20080176842-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS PRSS1, DNPEP, PREP ALDH1A1 2674/4885LMNA 3038/4885MAPT 1389/4885
US-20070037754-A1 Inhibitors of HIV protease; 2S-[[(N-methylamino)acetyl]amino]-N-[2R-hydroxy-3-[[(1,3-benzodioxol-5-yl)sulfonyl](2-methylpropyl)amino)-1S-(phenylmethyl)propyl]-3,3-dimethyl-butanamide DNPEP, PREP, ANPEP ALDH1A1 1286/4885LMNA 678/4885MAPT 3126/4885

“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.