Sugi Predict

Sugi Predict / Compounds / SCHEMBL475682

SCHEMBL475682

SCHEMBL475682

COC(=O)CCC(C)(C)[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ TSHR P16473 4/20 0.46
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL14008682 0.84 TSHR (0.46) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL2219581 0.84 TSHR (0.48) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL24570975 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTLMNA
SCHEMBL10845666 0.82 TSHR (0.48) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL17347350 0.82 TSHR (0.48) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL11374230 0.81 ALDH1A1 (0.45) ALDH1A1L3MBTL1TSHRMAPTLMNA
SCHEMBL9852007 0.79 TSHR (0.41) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL30009258 0.79 ALDH1A1 (0.39) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL17281804 0.78 TSHR (0.40) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL9512578 0.78 TSHR (0.40) ALDH1A1L3MBTL1TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9870909-B2 Compositions and methods for mass spectometry MSTM, LLC 2018-01-16 — — US claimed
EP-3889138-B1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF HINOVA PHARMACEUTICALS INC (CN) 2024-11-20 — — EP disclosed
US-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY INC. (US) 2024-09-26 — — US disclosed
WO-2024178335-A2 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS ACCUTAR BIOTECHNOLOGY, INC. (US) 2024-08-29 — — WO disclosed
WO-2024143106-A1 STABILIZED ALKYL-BROMIDE-COMPOUND-CONTAINING LIQUID COMPOSITION AND USE FOR SAME 東ソー株式会社 2024-07-04 — — WO disclosed
CN-116200287-A Wessezia fusiformis and application thereof in improving microbial structure and flavor of green square 吉林农业大学 2023-06-02 — — CN disclosed
EP-3288931-B2 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2022-07-20 — — EP disclosed
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-06-30 — — US disclosed
EP-4019518-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2022-06-29 — — EP disclosed
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors BEIJING XUANYI PHARMASCIENCES CO., LTD. (CN) 2022-06-07 — — US disclosed
WO-2003044016-A1 3-SUBSTITUTED OXINDOLE β3 AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 — — WO disclosed
WO-2003044017-A1 BETA 3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-05-30 — — WO disclosed
US-20020042537-A1 Method for producing lysine derivative AJINOMOTO CO., INC. (JP) 2002-04-11 — — US disclosed
EP-1179599-A2 Method for producing lysine derivative Ajinomoto Co., Inc. (JP) 2002-02-13 — — EP disclosed
CN-1058261-C Synthesis of 3, 4, 5 mono-or polysubstituted pyrrolidone-2 compounds KUNMING PLANT INST CHINESE ACA (CN) 2000-11-08 — — CN disclosed
CN-1186071-A Synthesis of 3, 4, 5 mono-or polysubstituted pyrrolidone-2 compounds KUNMING PLANT INST CHINESE ACA (CN) 1998-07-01 — — CN disclosed
EP-0366004-B1 Cyclic azaaliphatic compounds with a nitroxy group, process for their preparation and pharmaceutical compositions thereof BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 — — EP disclosed
US-5280031-A Cyclic azaaliphatic compounds with a nitroxy function, processes for the preparation thereof and pharmaceutical compositions containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-01-18 — — US disclosed
US-5030641-A Treatment of angina pectoris, hypotensive agents BOEHRINGER MANNHEIM GMBH (DE) 1991-07-09 — — US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 — — EP 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 (4 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-20020042537-A1 Method for producing lysine derivative JMJD6, SIRT6, KDM6A ALDH1A1 553/4885L3MBTL1 1334/4885TSHR 3972/4885
US-11351170-B2 Substituted pyrimidines as CDK4/6 inhibitors CDK4, CDK6, CDK2 ALDH1A1 2112/4885L3MBTL1 1940/4885TSHR 1943/4885
US-20220204510-A1 2,3-DIHYDRO-1H-PYRROLIZINE-7-FORMAMIDE DERIVATIVE AND APPLICATION THEREOF DPYD, EIF2AK2, INF2 ALDH1A1 2381/4885L3MBTL1 4828/4885TSHR 4067/4885
US-20240317777-A1 NOVEL MACROCYCLIC AMINOPYRAZOLE COMPOUNDS AS CDK2 INHIBITORS CDK2, CDK20, CDK3 ALDH1A1 4325/4885L3MBTL1 2705/4885TSHR 3646/4885

“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.