Sugi Predict

Sugi Predict / Compounds / SCHEMBL1343816

SCHEMBL1343816

SCHEMBL1343816

CC(C)(C)OC(=O)NCCc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 1/20 0.56
▸ CTSS P25774 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ IDO1 P14902 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RIPK1 Q13546 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ MALT1 Q9UDY8 1/20 0.46
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ BCHE P06276 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44

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
SCHEMBL29793814 1.00 NQO2 (0.56) NQO2CTSSCTSKIDO1MEN1
SCHEMBL20140791 0.92 CTSS (0.50) NQO2CTSSCTSKMEN1KMT2A
SCHEMBL21794713 0.90 TDP1 (0.50) NQO2CTSSCTSKMEN1KMT2A
SCHEMBL31627170 0.89 TDP1 (0.52) NQO2CTSSCTSKMEN1KMT2A
SCHEMBL31627039 0.86 HTT (0.49) NQO2CTSSCTSKIDO1MEN1
SCHEMBL1329466 0.85 RIPK1 (0.60) NQO2CTSSCTSKMEN1KMT2A
SCHEMBL12851863 0.84 TAAR1 (0.56) NQO2KMT2ATAAR1NPC1RAB9A
SCHEMBL21680877 0.84 NQO2 (0.57) NQO2IDO1MEN1KMT2AHTT
SCHEMBL4381773 0.84 NQO2 (0.61) NQO2IDO1MEN1KMT2ALMNA
SCHEMBL25471683 0.83 CTSS (0.48) NQO2CTSSCTSKIDO1MEN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109842-A1 ACRYLAMIDE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-04 — — US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 — — US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 — — US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
EP-4073038-A1 ACRYLAMIDE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2022-10-19 — — EP disclosed
WO-2021117733-A1 ACRYLAMIDE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-06-17 — — WO disclosed
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 — — EP disclosed
CN-109111383-B 2-substituted diphenyl sulfide derivative and use thereof 广东东阳光药业有限公司 2020-11-24 — — CN disclosed
CN-109111383-A The diphenyl sulfide derivative and application thereof that 2- replaces 广东东阳光药业有限公司 2019-01-01 — — CN disclosed
CN-108347943-A HEPATITIS B CORE PROTEIN MODULATORS 组装生物科学股份有限公司 2018-07-31 — — CN disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 — — WO disclosed
US-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 — — US disclosed
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES TRANZYME PHARMA INC. (CA) 2012-10-25 — — US disclosed
US-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 — — US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 — — US disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 — — EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 — — WO disclosed
US-5541286-A Bradykinin antagonist pseudopeptide derivatives of olefinic aminoalkanoic acids SCIOS NOVA INC. (US) 1996-07-30 — — US disclosed
US-5444048-A Antiinflammatory agents, analgesics SCIOS NOVA, INC. (US) 1995-08-22 — — 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 (6 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-20120270769-A1 METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, TMPRSS15 NQO2 2121/4885CTSS 46/4885CTSK 130/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS NQO2 2862/4885CTSS 2234/4885CTSK 2505/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS NQO2 2862/4885CTSS 2234/4885CTSK 2505/4885
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP NQO2 261/4885CTSS 4431/4885CTSK 3532/4885
US-20240109842-A1 ACRYLAMIDE COMPOUNDS HPGDS, MYADM, ACR NQO2 1881/4885CTSS 4835/4885CTSK 4596/4885
US-20120270807-A1 MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES PRSS1, SPINT2, SERPINB1 NQO2 2144/4885CTSS 62/4885CTSK 147/4885

“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.