SCHEMBL3861271

SCHEMBL3861271

CC(C)CCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.47
CTSD P07339 2/20 0.46
BACE1 P56817 2/20 0.46
BACE2 Q9Y5Z0 1/20 0.46
MLNR O43193 1/20 0.43
ABCB11 O95342 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP3A5 P20815 1/20 0.43
CNR1 P21554 1/20 0.43
TBXAS1 P24557 1/20 0.43
ADRA1A P35348 1/20 0.43
CCR1 P32246 1/20 0.41

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
SCHEMBL7317893 1.00 SPPL2A (0.47) SPPL2ACTSDBACE1BACE2MLNR
SCHEMBL3860893 1.00 SPPL2A (0.47) SPPL2ACTSDBACE1BACE2MLNR
SCHEMBL3867455 0.89 MLNR (0.46) SPPL2ACTSDBACE1BACE2MLNR
SCHEMBL7684686 0.89 SPPL2A (0.52) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7373192 0.89 SPPL2A (0.46) SPPL2ACTSDBACE1BACE2MLNR
SCHEMBL3860333 0.89 SPPL2A (0.52) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL7313847 0.89 SPPL2A (0.52) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL11988784 0.87 SPPL2A (0.63) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL11988787 0.87 SPPL2A (0.63) SPPL2ACTSDMLNRABCB11LMNA
SCHEMBL3861311 0.87 CTSD (0.45) SPPL2ACTSDBACE1MLNRABCB11

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3657002-B2 2005-06-08 JP claimed
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP claimed
EP-0656887-B1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-10-28 EP claimed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO claimed
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-RE43596-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-08-21 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-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US disclosed
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 US disclosed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US disclosed
US-20060276493-A1 alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D SEARLE & CO. (US) 2006-12-07 US disclosed
EP-0656886-B1 N-(ALKANOYLAMINO-2-HYDROXYPROPYL)-SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1997-06-25 EP disclosed
WO-1996022287-A1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-07-25 WO disclosed
US-5463104-A Treating human immunodeficiency virus infection G. D. SEARLE & CO. (US) 1995-10-31 US disclosed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP disclosed
EP-0656886-A1 N-(ALKANOYLAMINO-2-HYDROXYPROPYL)-SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-06-14 EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO disclosed
WO-1994004491-A1 N-(ALKANOYLAMINO-2-HYDROXYPROPYL)-SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 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 (3 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 SPPL2A 636/4885CTSD 45/4885BACE1 63/4885
US-20060276493-A1 alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP SPPL2A 185/4885CTSD 140/4885BACE1 20/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP SPPL2A 181/4885CTSD 136/4885BACE1 18/4885

“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.