SCHEMBL23100449

SCHEMBL23100449

CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C1(C)CC(C#N)(c2ncc(Br)cc2F)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.36
CTSS P25774 15/20 0.36
AAK1 Q2M2I8 4/20 0.33
BACE1 P56817 1/20 0.33
CTSK P43235 1/20 0.31

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
SCHEMBL23126982 1.00 CTSL (0.36) CTSLCTSSAAK1BACE1CTSK
SCHEMBL30311200 0.83 CTSL (0.40) CTSLCTSSAAK1CTSK
SCHEMBL23126956 0.83 CTSL (0.40) CTSLCTSSAAK1CTSK
SCHEMBL23100503 0.72 CTSL (0.40) CTSLCTSSBACE1CTSK
SCHEMBL25760749 0.72 CTSL (0.33) CTSLCTSSBACE1CTSK
SCHEMBL24047010 0.72 CTSL (0.33) CTSLCTSSBACE1CTSK
SCHEMBL23100453 0.70 KEAP1 (0.33) CTSLCTSSBACE1
SCHEMBL23127018 0.70 KEAP1 (0.33) CTSLCTSSBACE1
SCHEMBL5525667 0.69 AAK1 (0.39) CTSLCTSSAAK1CTSK
SCHEMBL14974682 0.67 CTSL (0.34) CTSLCTSSBACE1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596078-B1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2023-04-12 EP disclosed
US-10953019-B2 Fused pentacyclic imidazole derivatives as modulators of TNF activity UCB Biopharma SRL (BE) 2021-03-23 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 (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-10953019-B2 Fused pentacyclic imidazole derivatives as modulators of TNF activity TNF, TNFRSF1A, NFKBIA CTSL 4215/4885CTSS 3889/4885AAK1 1584/4885

“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.