SCHEMBL6057193

SCHEMBL6057193

CC(C)SC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.50
CES1 P23141 7/20 0.50
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR139 Q6DWJ6 1/20 0.45
KMT2A Q03164 2/20 0.44
TSHR P16473 3/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 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
SCHEMBL16044915 0.86 MAPT (0.45) CES2CES1MAPTLMNAXBP1
SCHEMBL6830394 0.84 LMNA (0.44) CES2CES1MAPTLMNAXBP1
SCHEMBL10979998 0.83 GPR139 (0.42) CES2CES1MAPTLMNAXBP1
SCHEMBL7546809 0.83 SMN1; SMN2 (0.44) CES2CES1MAPTLMNAXBP1
SCHEMBL6575624 0.83 SMN1; SMN2 (0.44) CES2CES1MAPTLMNAXBP1
SCHEMBL6578239 0.83 SMN1; SMN2 (0.44) CES2CES1MAPTLMNAXBP1
SCHEMBL16250754 0.81 GPR139 (0.45) CES2CES1MAPTLMNAXBP1
Hydrochloric Acid SCHEMBL11106436 0.81 SMN1; SMN2 (0.42) CES2CES1MAPTLMNAXBP1
SCHEMBL16236134 0.81 GPR139 (0.45) CES2CES1MAPTLMNAXBP1
SCHEMBL27838181 0.81 GPR139 (0.49) CES2CES1MAPTLMNAXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118749013-A Resin composition, cured product, electronic component, and display device 东丽株式会社 2024-10-08 CN disclosed
US-11753436-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION (US) 2023-09-12 US disclosed
US-11753436-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION (US) 2023-09-12 US disclosed
US-11331317-B2 Composition for treating vascular or cardiac valvular calcification, containing thiamine derivative KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-05-17 US disclosed
US-20210290621-A1 COMPOSITION FOR PREVENTING OR TREATING VASCULAR OR CARDIAC VALVULAR CALCIFICATION, CONTAINING THIAMINE DERIVATIVE PRIMEMUPHARMA CO., LTD (KR) 2021-09-23 US disclosed
US-20210061851-A1 ANALOGS OF CELASTROL ERX PHARMACEUTICALS CORPORATION 2021-03-04 US disclosed
US-10662218-B2 Analogs of celastrol ERX PHARMACEUTICALS CORPORATION 2020-05-26 US disclosed
US-10179175-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-01-15 US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
WO-2001051527-A1 PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051526-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2000075202-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075204-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000052068-A1 PROCESS FOR PRODUCING POLYETHYLENE EASTMAN CHEMICAL COMPANY (US) 2000-09-08 WO disclosed
CN-1039771-C Sulfonylureas compounds NOVATIS CO (CH) 1998-09-16 CN disclosed
CN-1063490-A SULFONYLUREAS COMPOUNDS CIBA GEIGY AG (CH) 1992-08-12 CN disclosed
CN-1059446-A Synergism goods and the method for Selective Control weeds CIBA GEIGY AG (CH) 1992-03-18 CN 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 (7 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-10179175-B2 Isatoic anhydride derivatives and applications thereof AASDHPPT, CA13, CA12 CES2 1153/4885CES1 1925/4885MAPT 4720/4885
US-20210061851-A1 ANALOGS OF CELASTROL GIPR, GPR119, EBP CES2 125/4885CES1 27/4885MAPT 4052/4885
US-20210290621-A1 COMPOSITION FOR PREVENTING OR TREATING VASCULAR OR CARDIAC VALVULAR CALCIFICATION, CONTAINING THIAMINE DERIVATIVE SLC19A2, FABP3, SLC5A6 CES2 4308/4885CES1 1699/4885MAPT 2307/4885
US-11331317-B2 Composition for treating vascular or cardiac valvular calcification, containing thiamine derivative SLC19A2, VDR, SLC5A6 CES2 4468/4885CES1 1972/4885MAPT 2241/4885
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 CES2 1153/4885CES1 1925/4885MAPT 4720/4885
US-10662218-B2 Analogs of celastrol GIPR, GPR119, EBP CES2 125/4885CES1 27/4885MAPT 4052/4885
US-11753436-B2 Analogs of celastrol GIPR, GPR119, EBP CES2 125/4885CES1 27/4885MAPT 4052/4885

“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.