SCHEMBL2582314

SCHEMBL2582314

O=S(=O)(c1ccccc1)N(C[C@H](O)CNCc1ccccc1)C1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.59
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
PSEN1 P49768 4/20 0.45
PSEN2 P49810 4/20 0.45
SPPL2A Q8TCT8 4/20 0.45
APH1B Q8WW43 4/20 0.45
NCSTN Q92542 4/20 0.45
APH1A Q96BI3 4/20 0.45
PSENEN Q9NZ42 4/20 0.45
AVPR1B P47901 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 1/20 0.44
PER2 O15055 1/20 0.43
CRY1 Q16526 1/20 0.43
CRY2 Q49AN0 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
SCHEMBL2581278 0.83 PTGES (0.47) BACE1BCHEPER2CRY1CRY2
SCHEMBL7462782 0.78 BACE1 (0.56) BACE1NPSR1SMN1; SMN2LMNAPSEN1
SCHEMBL2575811 0.76 TAS2R14 (0.49) BACE1SPPL2AKMT2ABCHE
SCHEMBL14844131 0.76 BACE1 (0.45) BACE1ALDH1A1KMT2ABCHECYP1A2
SCHEMBL6526847 0.75 BACE1 (0.51) BACE1NPSR1LMNAPSEN1PSEN2
SCHEMBL2580459 0.74 BACE1 (0.47) BACE1MEN1KMT2ABCHE
SCHEMBL13673931 0.73 BCHE (0.41) BCHEHTT
SCHEMBL2584515 0.73 BACE1 (0.51) BACE1NPSR1SMN1; SMN2LMNAPSEN1
SCHEMBL3968836 0.72 NPSR1 (0.58) BACE1NPSR1SMN1; SMN2LMNAALDH1A1
SCHEMBL5500845 0.72 MEN1 (0.57) BACE1NPSR1SMN1; SMN2LMNAPSEN1

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 12 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 claimed
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
JP-3657002-B2 2005-06-08 JP claimed
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-11-18 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
US-6455581-B1 INHIBITORS OF HIV PROTEASE. G.D. SEARLE & CO. 2002-09-24 US claimed
EP-0810209-B1 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors SEARLE & CO (US) 2002-06-05 EP claimed
EP-0810209-A2 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-12-03 EP claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO claimed
EP-0810209-B1 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors SEARLE & CO (US) 2002-06-05 EP disclosed
EP-0810209-A2 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-12-03 EP 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-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BACE1 31/4885NPSR1 1934/4885SMN1; SMN2 2012/4885
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP BACE1 31/4885NPSR1 1934/4885SMN1; SMN2 2012/4885

“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.