SCHEMBL239870

SCHEMBL239870

CS(=O)(=O)Cc1cc[c]cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
FAAH O00519 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
ELANE P08246 1/20 0.33
PRTN3 P24158 1/20 0.33
PRSS3 P35030 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
NPC1 O15118 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NLRP3 Q96P20 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 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
SCHEMBL9039729 0.77 PTGS2 (0.43) CA2NPC1NLRP3KMT2AKDM4E
SCHEMBL4343171 0.76 CA1 (0.34) CA1CA2FAAHPRSS1PRSS2
SCHEMBL8480022 0.76 CA2 (0.60) CA1CA2FAAHPRSS1PRSS2
SCHEMBL8823425 0.76 CA1 (0.33) CA1CA2FAAHPRSS1PRSS2
SCHEMBL19743671 0.76 FAAH (0.60) CA1CA2FAAHPRSS1PRSS2
SCHEMBL2642337 0.76 RCE1 (0.36) RCE1CA1CA2FAAHPRSS1
SCHEMBL1569920 0.76 CA1 (0.39) CA1CA2MEN1KMT2AKDM4E
SCHEMBL6623123 0.76 HPGD (0.38) CA1CA2FAAHPRSS1PRSS2
SCHEMBL8919735 0.76 POLB (0.39) CA2NLRP3MEN1KMT2AKDM4E
SCHEMBL92893 0.75 CA2 (0.58) RCE1CA1CA2FAAHPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629168-B2 Benzoxazoles and oxazolopyridines being useful as janus kinases inhibitors NOVARTIS AG (CH) 2014-01-14 US 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 claimed
CN-101516860-B Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG 2012-06-27 CN claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 EP 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
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors NOVARTIS AG 2010-01-14 US claimed
CN-101516860-A Benzoxazoles and oxazolopyridines being useful as FANUS kinases inhibitors NOVARTIS AG (CH) 2009-08-26 CN 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 RCE1 1312/4885CA1 2849/4885CA2 1401/4885
US-20020052399-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP RCE1 141/4885CA1 484/4885CA2 2390/4885
US-20100009978-A1 Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors JAK2, JAK3, JAK1 RCE1 3787/4885CA1 4050/4885CA2 3475/4885
US-20050267171-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP RCE1 139/4885CA1 525/4885CA2 2248/4885
US-20030191319-A1 Alpha-and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP RCE1 141/4885CA1 484/4885CA2 2390/4885
US-20040044047-A1 Alpha and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, PREP, ANPEP RCE1 114/4885CA1 512/4885CA2 2301/4885
US-20040229922-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP RCE1 141/4885CA1 484/4885CA2 2390/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 RCE1 1312/4885CA1 2849/4885CA2 1401/4885

“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.