SCHEMBL27166300

SCHEMBL27166300

CCOCCOc1ccc(CC(C(=O)O)N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.46
ITGA2B P08514 2/20 0.46
ACACB O00763 3/20 0.45
THRA P10827 1/20 0.43
PPARG P37231 6/20 0.42
PPARA Q07869 5/20 0.40
PPARD Q03181 2/20 0.40
MMP13 P45452 1/20 0.39
ADORA1 P30542 1/20 0.38
FFAR1 O14842 1/20 0.37

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
SCHEMBL27166237 0.99 ITGB3 (0.46) ITGB3ITGA2BACACBTHRAPPARG
SCHEMBL27166225 0.90 ITGB3 (0.46) ITGB3ITGA2BACACBPPARGPPARA
SCHEMBL27166243 0.87 ACACB (0.43) ITGB3ITGA2BACACBTHRAPPARG
SCHEMBL8765273 0.84 SMN1; SMN2 (0.46) ITGB3ITGA2BPPARGMMP13
SCHEMBL3776724 0.82 LDHA (0.54) ITGB3ITGA2BPPARGPPARAMMP13
SCHEMBL6942693 0.82 LDHA (0.54) ITGB3ITGA2BPPARGPPARAMMP13
SCHEMBL10785304 0.82 MMP13 (0.43) ITGB3ITGA2BACACBPPARGPPARA
SCHEMBL6474783 0.82 ITGB3 (0.55) ITGB3ITGA2BPPARGPPARAPPARD
SCHEMBL16634946 0.82 ITGB3 (0.55) ITGB3ITGA2BPPARGPPARAPPARD
SCHEMBL29397771 0.82 ITGB3 (0.55) ITGB3ITGA2BPPARGPPARAPPARD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260077069-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AG (DE) 2026-03-19 US disclosed
EP-4584251-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
EP-4583925-A1 COMBINATIONS OF CONTRAST AGENTS Bayer Aktiengesellschaft (DE) 2025-07-16 EP disclosed
WO-2024052573-A1 COMBINATIONS OF CONTRAST AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
WO-2024052549-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING BAYER AKTIENGESELLSCHAFT (DE) 2024-03-14 WO disclosed
EP-4335840-A1 NEW CONTRAST AGENTS FOR USE IN DIAGNOSTIC IMAGING Bayer Aktiengesellschaft (DE) 2024-03-13 EP disclosed
EP-4335461-A1 COMBINATIONS OF CONTRAST AGENTS Bayer AG (DE) 2024-03-13 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 (1 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-20260077069-A1 COMBINATIONS OF CONTRAST AGENTS GBA1, GBA3, GLS2 ITGB3 1057/4885ITGA2B 2324/4885ACACB 3881/4885

“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.