SCHEMBL486967

SCHEMBL486967

CC(C)(C)OC(=O)[C@H](O)CCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.44
LTA4H P09960 1/20 0.44
CTSS P25774 1/20 0.44
SYK P43405 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
AAK1 Q2M2I8 1/20 0.40
POLB P06746 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
IDO1 P14902 1/20 0.40

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
SCHEMBL486968 1.00 L3MBTL1 (0.49) L3MBTL1PPARAPPARGLTA4HCTSS
SCHEMBL30598766 1.00 L3MBTL1 (0.49) L3MBTL1PPARAPPARGLTA4HCTSS
SCHEMBL14037308 0.87 LTA4H (0.43) L3MBTL1PPARALTA4HCTSSSYK
SCHEMBL6293054 0.87 L3MBTL1 (0.50) L3MBTL1PPARAPPARGLTA4HCTSS
SCHEMBL23541264 0.85 PPARA (0.54) L3MBTL1PPARAPPARGLTA4HCTSS
SCHEMBL487460 0.85 PPARA (0.54) L3MBTL1PPARAPPARGLTA4HCTSS
SCHEMBL487462 0.85 PPARA (0.54) L3MBTL1PPARAPPARGLTA4HCTSS
SCHEMBL29447511 0.84 LTA4H (0.57) L3MBTL1PPARAPPARGLTA4HCTSS
SCHEMBL487448 0.82 CTSK (0.49) CTSSHTTSMN1; SMN2AAK1ITGA4
SCHEMBL487446 0.82 CTSK (0.49) CTSSHTTSMN1; SMN2AAK1ITGA4

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 14 patents. 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
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
CN-116981658-A Novel contrast agents for magnetic resonance imaging 拜耳股份有限公司 2023-10-31 CN disclosed
WO-2022194777-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2022-09-22 WO disclosed
EP-4059925-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Aktiengesellschaft (DE) 2022-09-21 EP disclosed
US-8362043-B2 Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 US disclosed
EP-1833794-B1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMA (US) 2012-02-01 EP disclosed
EP-1833794-A1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS Vertex Pharmceuticals Incorporated (US) 2007-09-19 EP disclosed
US-20060160862-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 US disclosed
WO-2006057961-A1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO 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-20260083864-A1 CONTRAST AGENTS FOR USE IN DIAGNOSTIC COMPUTED TOMOGRAPHY IMAGING CA13, CCR1, GALC L3MBTL1 2462/4885PPARA 2446/4885PPARG 814/4885
US-20060160862-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP3 L3MBTL1 1197/4885PPARA 3976/4885PPARG 3726/4885

“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.