SCHEMBL614514

SCHEMBL614514

C=CCC(NC(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
CTSK P43235 10/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CTSS P25774 6/20 0.42
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 1/20 0.40
KLK5 Q9Y337 1/20 0.40
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL1433271 1.00 SMN1; SMN2 (0.48) SMN1; SMN2CTSKNFKB1NFKB2RELA
SCHEMBL614515 1.00 SMN1; SMN2 (0.48) SMN1; SMN2CTSKNFKB1NFKB2RELA
SCHEMBL27419562 0.94 SMN1; SMN2 (0.44) SMN1; SMN2CTSKNFKB1NFKB2RELA
SCHEMBL16289367 0.92 SMN1; SMN2 (0.49) SMN1; SMN2CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL15083313 0.92 SMN1; SMN2 (0.49) SMN1; SMN2CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL12405615 0.89 SMN1; SMN2 (0.47) SMN1; SMN2CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL13950543 0.88 SMN1; SMN2 (0.62) SMN1; SMN2CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL8070420 0.88 SMN1; SMN2 (0.62) SMN1; SMN2CTSKCYP1A2CYP2C9CYP2C19
SCHEMBL13652724 0.87 SMN1; SMN2 (0.42) SMN1; SMN2CTSKNFKB1NFKB2RELA
SCHEMBL11934305 0.87 SMN1; SMN2 (0.44) SMN1; SMN2CTSKNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AG (DE) 2026-03-26 US disclosed
EP-4583926-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
EP-4308551-B1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AG (DE) 2025-04-09 EP disclosed
US-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-06-06 US disclosed
WO-2024052550-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335462-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING Bayer AG (DE) 2024-03-13 EP disclosed
EP-4308551-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2024-01-24 EP disclosed
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed
CN-116981658-A Novel contrast agents for magnetic resonance imaging 拜耳股份有限公司 2023-10-31 CN disclosed
CN-116332873-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-06-27 CN disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
US-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES NOVARTIS AG (CH) 2011-03-10 US disclosed
EP-2285785-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES Novartis AG (CH) 2011-02-23 EP disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 WO disclosed
US-7125870-B2 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-24 US disclosed
US-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme BRISTOL-MYERS SQUIBB COMPANY 2004-06-24 US disclosed
WO-2004043349-A2 ISOXAZOLINE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 WO disclosed
US-5665598-A Synthesis of chiral N-protected-α-substituted-glycine free acids by zinc-mediated addition of organic halide to glycine cation equivalent G. D. SEARLE & CO. (US) 1997-09-09 US disclosed
US-5508466-A REACTING MIXTURE OF N-PROTECTED-ALPHA-SUBSTITUTED-GLYCINE CATION DERIVATIVE AND ELEMENTAL ZINC WITH ORGANIC HALIDE IN POLAR SOLVENT G.D. SEARLE & CO. (US) 1996-04-16 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 (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-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING MAG, GBA1, GLRX3 SMN1; SMN2 777/4885CTSK 2928/4885NFKB1 2510/4885
US-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING CA13, CCR1, GALC SMN1; SMN2 2305/4885CTSK 1944/4885NFKB1 3742/4885
US-20040122005-A1 Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme MMP2, MMP1, MMP9 SMN1; SMN2 3007/4885CTSK 170/4885NFKB1 998/4885
US-20110059989-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF AIRWAY DISEASES CFTR, SCN5A, SCNN1B SMN1; SMN2 2347/4885CTSK 4264/4885NFKB1 734/4885

“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.