SCHEMBL30656105

SCHEMBL30656105

COc1ncccc1COc1ccc2sc(C)c(C(=O)N[C@@H](CO)C(N)=O)c2c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 5/20 0.34
EDNRA P25101 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
IKBKB O14920 1/20 0.33
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ROCK2 O75116 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
FFAR1 O14842 1/20 0.32

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
SCHEMBL26793645 1.00 CD274 (0.34) CD274EDNRAHDAC6IKBKBICAM1
SCHEMBL26792926 0.90 SCN9A (0.33) CD274EDNRA
SCHEMBL30656198 0.90 SCN9A (0.33) CD274EDNRA
SCHEMBL30656325 0.90 SCN9A (0.33) CD274EDNRA
SCHEMBL30656180 0.90 HPGDS (0.37) CD274EDNRAHDAC6IKBKBICAM1
SCHEMBL30656124 0.90 HPGDS (0.37) CD274EDNRAHDAC6IKBKBICAM1
SCHEMBL30656176 0.87 CD38 (0.36) CD274EDNRAL3MBTL1
SCHEMBL30656016 0.87 CD38 (0.36) CD274EDNRAL3MBTL1
SCHEMBL31350375 0.85 ICAM1 (0.41) EDNRAIKBKBICAM1SELEVCAM1
SCHEMBL30655999 0.84 GPR132 (0.43) PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP claimed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO claimed
US-20250346569-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS UNIV LEUVEN KATH (BE) 2025-11-13 US disclosed
EP-4532013-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2025-04-09 EP disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 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 (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-20250346569-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS TRPM4, TRPM2, TRPM6 CD274 4259/4885EDNRA 1582/4885HDAC6 612/4885

“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.