SCHEMBL1132708

SCHEMBL1132708

CC(C)(NC(N)=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
TSHR P16473 4/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 3/20 0.33
NFKB1 P19838 2/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 2/20 0.33
PMP22 Q01453 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
THPO P40225 1/20 0.33
CRBN Q96SW2 1/20 0.33
CA2 P00918 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.32
AR P10275 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL3888653 0.79 EPHX1 (0.33) TSHRALDH1A1LMNANFKB1BLM
SCHEMBL17030024 0.79 KDM4C (0.42) KDM4CTSHRALDH1A1MAPTNAALAD2
SCHEMBL18991310 0.78 TSHR (0.38) KDM4CTSHRALDH1A1LMNANFKB1
SCHEMBL18125958 0.77 KDM4C (0.48) KDM4CTSHRALDH1A1MAPTNAALAD2
SCHEMBL5499651 0.76 CRBN (0.32) TSHRLMNANFKB1BLMPMP22
SCHEMBL6471708 0.74 KDM4C (0.46) KDM4CTSHRALDH1A1NFKB1MAPT
SCHEMBL25306945 0.74 ALDH1A1 (0.36) TSHRALDH1A1LMNANFKB1MAPT
SCHEMBL18312018 0.74 DGAT1 (0.39) TSHRALDH1A1LMNANFKB1BLM
SCHEMBL30066024 0.74 KDM4C (0.42) KDM4CTSHRALDH1A1MAPTCYP1A2
SCHEMBL29732540 0.74 TSHR (0.35) TSHRALDH1A1LMNANFKB1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116718697-A Metabolite screening method for prolonging QTc interval of drug-resistant pulmonary tuberculosis and application 首都医科大学附属北京胸科医院 2023-09-08 CN claimed
CN-111060607-B Metabolite combination for pre-operation early warning of transplanted kidney delayed recovery after cardiac death and screening method thereof ZHEJIANG UNIVERSITY (CN) 2021-08-31 CN claimed
CN-111060607-A Metabolite combination for pre-operation early warning of transplanted kidney delayed recovery after cardiac death and screening method thereof 浙江大学 2020-04-24 CN claimed
WO-2017189528-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME Ecolab USA, Inc. (US) 2017-11-02 WO claimed
US-20170306504-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME CHAMPIONX LLC 2017-10-26 US claimed
US-20100116691-A1 BIOSENSOR FOR CONTINUOUS MONITORING OF METABOLITES AND PROTEINS AND METHODS OF MANUFACTURE THEREOF UNIVERSITY OF CONNECTICUT (US) 2010-05-13 US claimed
CN-118425362-B Organic acid metabolism marker for distinguishing wild and cultivated four-big domestic fish and application thereof 中国水产科学研究院长江水产研究所 2024-12-10 CN disclosed
US-20240358735-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-10-31 US disclosed
EP-4392037-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS Boyce Thompson Institute for Plant Research Inc. (US) 2024-07-03 EP disclosed
CN-117986066-A Microbial fertilizer for improving yield of hybrid seed production rice and preparation method thereof 江西瑞博特生物科技有限公司 2024-05-07 CN disclosed
CN-117740961-A Compound analysis method of liquorice and liquorice probiotics fermentation preparation 北京中医药大学 2024-03-22 CN disclosed
CN-116718697-A Metabolite screening method for prolonging QTc interval of drug-resistant pulmonary tuberculosis and application 首都医科大学附属北京胸科医院 2023-09-08 CN disclosed
CN-116554076-A Application of hydrazide compound as derivatization reagent 复旦大学 2023-08-08 CN disclosed
WO-2006010094-A1 OXIME DERIVATIVE HYDROXYETHYLAMINE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-01-26 WO disclosed
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
EP-1550725-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE alpha-METHYLCYSTEINE DERIVATIVE KANEKA CORPORATION (JP) 2005-07-06 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD KDM4C 1980/4885TSHR 4535/4885ALDH1A1 443/4885
US-20240358735-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS MAG, PMP22, B3GAT3 KDM4C 2001/4885TSHR 4851/4885ALDH1A1 3030/4885
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 KDM4C 4512/4885TSHR 4811/4885ALDH1A1 2677/4885
US-20060014737-A1 Methods of treatment of amyloidosis using bi-aryl aspartyl protease inhibitors DNPEP, ASPH, APP KDM4C 4386/4885TSHR 4736/4885ALDH1A1 1491/4885

“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.