SCHEMBL11988941

SCHEMBL11988941

CC(C)(C)C(=O)c1ccsc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
DAO P14920 1/20 0.56
HDAC1 Q13547 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 1/20 0.43
HSD11B1 P28845 1/20 0.42
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
GPR52 Q9Y2T5 1/20 0.36
DPP4 P27487 2/20 0.35
MAPT P10636 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
ALOX5 P09917 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL317582 0.85 CES2 (0.56) CES2CES1LCKFYNDAO
SCHEMBL28587407 0.79 CES2 (0.48) CES2CES1LCKFYNDAO
SCHEMBL12632181 0.79 CHEK2 (0.53)
SCHEMBL12431216 0.78 CES2 (0.58) CES2CES1LCKFYNDAO
SCHEMBL8614179 0.78 CES1 (0.58) CES2CES1LCKFYNDAO
SCHEMBL10425 0.75
SCHEMBL4876161 0.74
SCHEMBL8182714 0.74 CES2 (1.00) CES2CES1LCKFYNDAO
SCHEMBL2166098 0.74 CES2 (0.71) CES2CES1LCKFYNDAO
SCHEMBL27536114 0.74 CES2 (0.52) CES2CES1LCKFYNDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-11-02 US disclosed
US-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 US disclosed
US-9920073-B2 Compositions useful for inhibiting HIV-1 infection and methods using same DREXEL UNIVERSITY (US) 2018-03-20 US disclosed
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 US disclosed
US-9340558-B2 Filamin a binding anti-inflammatory and analgesic PAIN THERAPEUTICS INC. (US) 2016-05-17 US disclosed
US-9174988-B2 Small molecule inhibitors of hepatitis C virus TRUSTEES OF BOSTON UNIVERSITY (US) 2015-11-03 US disclosed
US-20140113895-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS, INC. 2014-04-24 US disclosed
US-8653068-B2 Filamin A binding anti-inflammatory and analgesic PAIN THERAPEUTICS, INC. (US) 2014-02-18 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-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 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-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-7446110-B2 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2008-11-04 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-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-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC (US) 2007-03-08 US 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 (10 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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 CES2 3770/4885CES1 3212/4885LCK 3875/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 CES2 3614/4885CES1 1784/4885LCK 2093/4885
US-20090023664-A1 ALPHA- AND BETA-AMINO ACID HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS DNPEP, ASPH, PREP CES2 324/4885CES1 189/4885LCK 3259/4885
US-20200392130-A1 SUBSTITUTED PYRAZOLO[4,3-b]PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN3B, GRIN3A CES2 2737/4885CES1 3296/4885LCK 871/4885
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME CCL5, CCR5, CXCL10 CES2 628/4885CES1 1410/4885LCK 260/4885
US-20070078173-A1 Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors DNPEP, ASPH, PREP CES2 324/4885CES1 189/4885LCK 3259/4885
US-11161846-B2 Substituted pyrazolo[4,3-b]pyridines and their use as GluN2B receptor modulators GRIN2B, GRIN3B, GRIN3A CES2 2737/4885CES1 3296/4885LCK 871/4885
US-20070054933-A1 17-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators AR, SHBG, NR5A1 CES2 4651/4885CES1 2480/4885LCK 2030/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B CES2 4813/4885CES1 3413/4885LCK 1593/4885
US-20140113895-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 CES2 3770/4885CES1 3212/4885LCK 3875/4885

“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.