SCHEMBL874509

SCHEMBL874509

CC(=O)ONC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
DGAT1 O75907 1/20 0.38
CA7 P43166 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CA14 Q9ULX7 3/20 0.35
APLNR P35414 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL27696933 0.98 CA1 (0.40) CA12CA1CA2CA9TDP1
SCHEMBL29422137 0.83 CA12 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL28026126 0.83 CA12 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL1609396 0.81 CA12 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL20711946 0.81 CA1 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL3346353 0.81 CA12 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL24191656 0.80 DGAT1 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL1927273 0.79 DGAT1 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL6899867 0.79 CA1 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL1949138 0.79 DGAT1 (0.41) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207561-A The prodrug of 17 β HSD1-inhibitor 佛恩多制药有限公司 2017-09-26 CN claimed
CN-105518017-A Therapeutically active estratriene thiazole derivatives as 17 beta-hydroxysteroid dehydrogenase type 1 inhibitors FORENDO PHARMA LTD 2016-04-20 CN claimed
CN-105518016-A Therapeutically active estratriene thiazole derivatives as 17 beta-hydroxysteroid dehydrogenase type 1 inhibitors FORENDO PHARMA LTD 2016-04-20 CN claimed
CN-102675226-B 3-substituted-1-methyl-quinazoline-2,4-dione compounds, preparation method and application thereof UNIV SOUTHWEST 2014-04-23 CN claimed
CN-102675226-A 3-substituted-1-methyl-quinazoline-2,4-dione compounds, preparation method and application thereof UNIV SOUTHWEST 2012-09-19 CN claimed
EP-4540230-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-04-23 EP disclosed
US-20250026731-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO INC (US) 2025-01-23 US disclosed
US-20240246950-A1 Anilino-Pyrazole Derivatives, Compositions and Methods Thereof Ensem Therapeutics (US) 2024-07-25 US disclosed
WO-2024065107-A9 NOVEL COMPOSITIONS COMPRISING TERPENOID AND MACROMOLECULE, AND USES THEREOF POWIN BIOMEDICAL CO., LTD. (CN) 2024-06-27 WO disclosed
WO-2024065107-A1 NOVEL COMPOSITIONS COMPRISING TERPENOID AND MACROMOLECULE, AND USES THEREOF POWIN BIOMEDICAL CO., LTD. (CN) 2024-04-04 WO disclosed
CN-117769443-A Fibroblast activation protein inhibitor and use thereof 3B制药有限公司 2024-03-26 CN disclosed
WO-2023244710-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed
CN-1211991-A Compounds with growth hormone releasing properties NOVO NORDISK AS (DK) 1999-03-24 CN disclosed
WO-1999003484-A1 THERAPEUTIC HEMOGLOBIN COMPOSITION HAVING ISOTROPICALLY INCREASED SIZE BAXTER INTERNATIONAL INC. (US) 1999-01-28 WO disclosed
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
US-5077432-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-12-31 US disclosed
EP-0438752-A1 Monobactam hydrazides containing catechol sulfonic acid groups E.R. SQUIBB & SONS, INC. (US) 1991-07-31 EP disclosed
US-5030724-A Monobactam hydrazides containing catechol sulfonic acid groups E. R. SQUIBB & SONS, INC. (US) 1991-07-09 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed
EP-0183584-B1 ESTERS OF DERIVATIVES OF 2-ALPHA-HYDROXY-SUBSTITUTED 4-HYDROXY-3-QUINOLINE CARBOXYLIC ACID, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1989-12-06 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 (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-20240246950-A1 Anilino-Pyrazole Derivatives, Compositions and Methods Thereof CDK2, CDK3, CDK4 CA12 4341/4885CA1 4122/4885CA2 2628/4885
US-20250026731-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF COMT, PNMT, ABCB1 CA12 4196/4885CA1 3628/4885CA2 4784/4885

“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.