SCHEMBL3108729

SCHEMBL3108729

CC(=O)CC(=O)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 4/20 0.64
PLOD3 O60568 3/20 0.64
PLOD1 Q02809 3/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2C19 P33261 3/20 0.64
ALDH1A1 P00352 3/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
HPGD P15428 2/20 0.64
CYP2C9 P11712 2/20 0.64
HIF1A Q16665 1/20 0.64
KDM4E B2RXH2 2/20 0.52
MPO P05164 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2A6 P11509 1/20 0.52
TP53 P04637 1/20 0.52
NAPRT Q6XQN6 1/20 0.48
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MAOA P21397 1/20 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
SCHEMBL29664616 0.98 PLOD2 (0.62) PLOD2PLOD3PLOD1CYP3A4CYP2C19
SCHEMBL28972977 0.98 PLOD2 (0.62) PLOD2PLOD3PLOD1CYP3A4CYP2C19
SCHEMBL10948430 0.86 PLOD2 (0.83) PLOD2PLOD3PLOD1CYP3A4CYP2C19
SCHEMBL2003577 0.84 KMT2A (0.52) PLOD2PLOD3PLOD1CYP3A4CYP2C19
SCHEMBL200805 0.80 PLOD2 (0.73) PLOD2PLOD3PLOD1CYP3A4CYP2C19
SCHEMBL5160670 0.79 PLOD2 (0.60) PLOD2PLOD3PLOD1CYP3A4CYP2C19
SCHEMBL1919299 0.79 PLOD2 (0.60) PLOD2PLOD3PLOD1CYP3A4CYP2C19
SCHEMBL21276047 0.79 PLOD2 (0.43) PLOD2PLOD3PLOD1CYP3A4CYP2C19
SCHEMBL5163555 0.78 CYP3A4 (0.64) PLOD2PLOD3PLOD1CYP3A4CYP2C19
SCHEMBL8053052 0.78 PLOD2 (1.00) PLOD2PLOD3PLOD1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049419-A1 PYRAZOLYL COMPOUNDS AS EMOPAMIL BINDING PROTEIN INHIBITORS GENZYME CORPORATION (US) 2025-03-06 WO disclosed
US-20240240077-A1 COLOR CONVERSION COMPOSITION, COLOR CONVERSION FILM, LIGHT SOURCE UNIT, DISPLAY, AND LIGHTING INCLUDING SAME, AND COMPOUND TORAY INDUSTRIES, INC. (JP) 2024-07-18 US disclosed
CN-108203408-B Pyrazole compound containing N-aryl sulfonate as well as synthesis and application thereof 兰州大学 2020-07-21 CN disclosed
US-10385079-B2 Preparation method for tedizolid, tedizolid intermediate, and preparation method therefor ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD (CN) 2019-08-20 US disclosed
EP-3083591-B1 N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE MERCK PATENT GMBH (DE) 2018-01-03 EP disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
US-9751861-B2 N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase MERCK PATENT GMBH (DE) 2017-09-05 US disclosed
WO-2017076285-A1 PREPARATION METHOD FOR TEDIZOLID, TEDIZOLID INTERMEDIATE, AND PREPARATION METHOD THEREFOR 浙江华海药业股份有限公司 2017-05-11 WO disclosed
EP-2804868-B1 PYRAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-04-12 EP disclosed
US-5272036-A Pattern forming contrast enhanced material utilizing water soluble photosensitive diazo compound and pattern forming method MATSUSHITA ELECTRONIC INDUSTRIAL CO., LTD. (JP) 1993-12-21 US disclosed
EP-0210284-B1 1,3-DITHIOL-2-YLIDENE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-08-19 EP disclosed
US-4866182-A TREATMENT OF HEART FAILURE MERRELL DOW PHARMACEUTICALS INC. (US) 1989-09-12 US disclosed
EP-0329070-A1 Cardiotonic alkanoyl and aroyl oxazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1989-08-23 EP disclosed
US-4668799-A Anti-hepatitis and anti-cirrhotic 1,3-dithiol-2-ylidene derivatives, and pharmaceutical compositions therefor BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-05-26 US disclosed
US-4650806-A Cardiotonic 5-(heterylcarbonyl)-pyridones STERLING DRUG INC. (US) 1987-03-17 US disclosed
EP-0210284-A1 1,3-Dithiol-2-ylidene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-02-04 EP disclosed
EP-0191298-A2 1,6 -Naphthyridin-2(1H) - ones useful as cardiotonics and preparation thereof STERLING DRUG INC. (US) 1986-08-20 EP disclosed
US-4576943-A NERVOUS SYSTEM DISORDERS, SEDATIVES, HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1986-03-18 US disclosed
US-4567186-A 5-Heteryl-1,6-naphthyridin-2(1H)-ones, cardiotonic use thereof and intermediates therefor STERLING DRUG INC. (US) 1986-01-28 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 (2 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-10385079-B2 Preparation method for tedizolid, tedizolid intermediate, and preparation method therefor CYP51A1, CYP2F1, CYP4F11 PLOD2 4536/4885PLOD3 4675/4885PLOD1 4019/4885
US-20240240077-A1 COLOR CONVERSION COMPOSITION, COLOR CONVERSION FILM, LIGHT SOURCE UNIT, DISPLAY, AND LIGHTING INCLUDING SAME, AND COMPOUND CDYL, ZKSCAN2, CAD PLOD2 278/4885PLOD3 685/4885PLOD1 298/4885

“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.