SCHEMBL27132003

SCHEMBL27132003

O=C(O)C(COCc1ccccc1)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.46
CA1 P00915 5/20 0.44
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA4 P22748 1/20 0.41
FOLH1 Q04609 1/20 0.41
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
TACR1 P25103 1/20 0.40
SRR Q9GZT4 2/20 0.40
CPA1 P15085 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 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
SCHEMBL29026408 1.00 SLC1A1 (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL27029002 1.00 SLC1A1 (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL29097240 0.89 CA1 (0.42) SLC1A1CA1CA2CA7CA9
SCHEMBL29097239 0.89 CA1 (0.42) SLC1A1CA1CA2CA7CA9
SCHEMBL23541030 0.84 PPARA (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL23540405 0.84 PPARA (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL23540403 0.84 PPARA (0.46) SLC1A1CA1CA2CA7CA9
SCHEMBL19520889 0.82 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL19520906 0.82 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9
SCHEMBL27028875 0.82 SLC1A1 (0.48) SLC1A1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20240182431-A1 NEW CONTRAST AGENT FOR USE IN MAGNETIC RESONANCE IMAGING MAG, GBA1, GLRX3 SLC1A1 477/4885CA1 106/4885CA2 303/4885

“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.