SCHEMBL239869

SCHEMBL239869

CS(=O)(=O)Cc1[c]cccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
POLB P06746 1/20 0.31
PSIP1 O75475 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FAAH O00519 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
ELANE P08246 1/20 0.30
PRTN3 P24158 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL1987184 0.82 PSIP1 (0.34) CA1CA2MMP1MMP2MMP9
SCHEMBL8480017 0.79 CA2 (0.48) LMNACA1CA2MMP1MMP2
SCHEMBL19743670 0.79 FAAH (0.48) CA1CA2MMP1MMP2MMP9
SCHEMBL8823424 0.79 ALDH1A1 (0.33) TDP1CA1CA2MMP1MMP2
SCHEMBL7516044 0.79 CA1 (0.35) CA1CA2MMP1MMP2MMP9
SCHEMBL8474314 0.79 CA1 (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL8481767 0.79 CA12 (0.33) CA2POLBCA9
SCHEMBL8919730 0.77 PTGS2 (0.32) CA2POLB
SCHEMBL3097610 0.76 PSIP1 (0.47) LMNAPOLBPSIP1ALDH1A1
SCHEMBL9586655 0.75 CYP1A2 (0.36) LMNAALOX15CA1CA2MMP9

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 66 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 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
US-7829564-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2010-11-09 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE LLC (US) 2009-01-22 US claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-7320983-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2008-01-22 US claimed
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-04-05 US claimed
US-20060276493-A1 alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D SEARLE & CO. (US) 2006-12-07 US claimed
US-7141609-B2 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-11-28 US claimed
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 2005-12-01 US claimed
US-6924286-B1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 2005-08-02 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
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors VAZQUEZ MICHAEL L (US) 2002-05-02 US claimed
US-5968942-A INHIBITORS OF HIV PROTEASE G. D. SEARLE & CO. (US) 1999-10-19 US claimed
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO 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 (8 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 LMNA 2140/4885GAA 101/4885ALOX15 4083/4885
US-20060276493-A1 alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP LMNA 2264/4885GAA 93/4885ALOX15 4098/4885
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP LMNA 2536/4885GAA 122/4885ALOX15 4054/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP LMNA 2140/4885GAA 101/4885ALOX15 4083/4885
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP LMNA 2536/4885GAA 122/4885ALOX15 4054/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP LMNA 2140/4885GAA 101/4885ALOX15 4083/4885
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PREP, ANPEP LMNA 2567/4885GAA 119/4885ALOX15 3918/4885
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP LMNA 2536/4885GAA 122/4885ALOX15 4054/4885

“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.