SCHEMBL983248

SCHEMBL983248

CCOC=CC(=O)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
GLO1 Q04760 1/20 0.42
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CASP1 P29466 1/20 0.39
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL983246 1.00 NPSR1 (0.42) NPSR1GLO1HCAR2ALDH1A1CASP1
SCHEMBL7073650 0.86 HCAR2 (0.41) NPSR1GLO1HCAR2ALDH1A1CASP1
SCHEMBL7073648 0.86 HCAR2 (0.41) NPSR1GLO1HCAR2ALDH1A1CASP1
SCHEMBL7066576 0.86 NPSR1 (0.38) NPSR1GLO1HCAR2ALDH1A1CYP2D6
SCHEMBL9084392 0.84 CASP1 (0.44) NPSR1GLO1HCAR2ALDH1A1CASP1
SCHEMBL8593221 0.84 CASP1 (0.44) NPSR1GLO1HCAR2ALDH1A1CASP1
SCHEMBL7073359 0.83 ATM (0.50) NPSR1HCAR2ALDH1A1CASP1CYP2D6
SCHEMBL7073361 0.83 ATM (0.50) NPSR1HCAR2ALDH1A1CASP1CYP2D6
SCHEMBL7068400 0.83 ATM (0.46) NPSR1GLO1HCAR2ALDH1A1CYP2D6
SCHEMBL7068403 0.83 ATM (0.46) NPSR1GLO1HCAR2ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US claimed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 US claimed
CN-119138551-A Novel salt roasted chicken production process and product 中国农业科学院农产品加工研究所 2024-12-17 CN disclosed
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP disclosed
US-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof SHANGHAI SIMR BIOTECH CO., LTD. (CN) 2022-01-11 US disclosed
CN-113661879-A Fertilizing method for improving yield and quality of medium-cultivated tomatoes 山东农业大学 2021-11-19 CN disclosed
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
US-20210101885-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. 2021-04-08 US disclosed
CN-107531669-B Pyridazine derivatives as RORc modulators 豪夫迈·罗氏有限公司 2020-12-18 CN disclosed
US-10787437-B2 Processes for the preparation of pyrazole derivatives useful as modulators of the 5-HT2A serotonin receptor ARENA PHARMACEUTICALS, INC. (US) 2020-09-29 US disclosed
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof SHANGHAI SIMRD BIOTECHNOLOGY. CO., LTD. (CN) 2020-05-28 US disclosed
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP disclosed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 WO disclosed
WO-2004111011-A2 SYNTHESIS OF 2-ARYL PYRIMIDINE 4-CARBOXYLIC ACID AMIDES EURO-CELTIQUE S.A. (LU) 2004-12-23 WO disclosed
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US disclosed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 US disclosed
US-5082949-A Plant growth regulators, protective agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
EP-0269806-B1 PHENYLPYRAZOLE CARBONIC ACID DERIVATIVES, THEIR PREPARATION AND USE AS PLANT GROWTH REGULATORS AND ANTIDOTES HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-27 EP disclosed
US-4891057-A Phenylpyrazolecarboxylic acid derivatives, their preparation, and their use as plant-growth regulators and safeners HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-02 US disclosed
EP-0269806-A1 Phenylpyrazole carbonic acid derivatives, their preparation and use as plant growth regulators and antidotes HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 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 (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-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof GABRA5, CYP3A5, GABRA1 NPSR1 117/4885GLO1 3314/4885HCAR2 165/4885
US-10787437-B2 Processes for the preparation of pyrazole derivatives useful as modulators of the 5-HT2A serotonin receptor HTR5A, HTR2A, HTR3A NPSR1 33/4885GLO1 2964/4885HCAR2 138/4885
US-11008312-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA NPSR1 38/4885GLO1 4462/4885HCAR2 206/4885
US-20210101885-A1 PROCESSES FOR THE PREPARATION OF PYRAZOLE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR HTR5A, HTR2A, HTR3A NPSR1 33/4885GLO1 2964/4885HCAR2 138/4885
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof GABRA5, CYP3A5, GABRA1 NPSR1 117/4885GLO1 3314/4885HCAR2 165/4885
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate DHFR, TYMS, DPYD NPSR1 4479/4885GLO1 1207/4885HCAR2 672/4885

“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.