SCHEMBL2587456

SCHEMBL2587456

CCCN(C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
CA1 P00915 4/20 0.48
GAA P10253 1/20 0.43
CA2 P00918 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
UGT1A7 Q9HAW7 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42
TAS2R14 Q9NYV8 4/20 0.42
ALDH1A1 P00352 1/20 0.42
CNR2 P34972 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 2/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL2578820 0.94 RXFP1 (0.45) CA12CA9CA1TAS2R14ALDH1A1
SCHEMBL7959979 0.90 RORC (0.44) TAS2R14CNR2MEN1KMT2ABACE1
SCHEMBL2576474 0.90 RORC (0.44) TAS2R14CNR2MEN1KMT2ABACE1
SCHEMBL7959974 0.90 RORC (0.44) TAS2R14CNR2MEN1KMT2ABACE1
SCHEMBL2582413 0.88 SPPL2A (0.52) TAS2R14RORC
SCHEMBL2582931 0.83 TAS2R14 (0.47) TAS2R14CNR2MEN1KMT2ARORC
SCHEMBL2578910 0.83 TAS2R14 (0.47) TAS2R14CNR2MEN1KMT2ABACE1
SCHEMBL2581281 0.82 TAS2R14 (0.51) TAS2R14BACE1
SCHEMBL6764842 0.82 SPPL2A (0.53) TAS2R14BACE1RORC
SCHEMBL2578860 0.81 MAPK1 (0.47) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A

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 25 patents — showing the first 20. 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-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-11-18 US claimed
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-03-04 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
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-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-7115618-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-10-03 US disclosed
US-6846954-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-01-25 US disclosed
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. 2004-11-18 US disclosed
EP-0810209-B1 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors SEARLE & CO (US) 2002-06-05 EP disclosed
US-6335460-B1 TREATING RETROVIRAL INFECTIONS, INCLUDING HUMAN IMMUNODEFICIENCY VIRUS, AND AIDS G.D. SEARLE & CO. 2002-01-01 US disclosed
US-6172082-B1 TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS G. D. SEARLE & CO. 2001-01-09 US disclosed
US-6060476-A α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2000-05-09 US disclosed
EP-0656887-B1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-10-28 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 (4 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 CA12 1843/4885CA9 1906/4885CA1 525/4885
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP CA12 1603/4885CA9 2041/4885CA1 484/4885
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PREP, ANPEP CA12 1649/4885CA9 2075/4885CA1 512/4885
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP CA12 1603/4885CA9 2041/4885CA1 484/4885

“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.