SCHEMBL23100503

SCHEMBL23100503

CC1(NC(=O)O)CC(C#N)(c2ncc(Br)cc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 19/20 0.40
CTSS P25774 19/20 0.40
CTSK P43235 1/20 0.35
CTSD P07339 1/20 0.32
BACE1 P56817 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
SCHEMBL23126956 0.85 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL30311200 0.85 CTSL (0.40) CTSLCTSSCTSK
SCHEMBL25760749 0.81 CTSL (0.33) CTSLCTSSCTSKCTSDBACE1
SCHEMBL24047010 0.81 CTSL (0.33) CTSLCTSSCTSKCTSDBACE1
SCHEMBL23100453 0.79 KEAP1 (0.33) CTSLCTSSCTSDBACE1
SCHEMBL23127018 0.79 KEAP1 (0.33) CTSLCTSSCTSDBACE1
SCHEMBL14974682 0.75 CTSL (0.34) CTSLCTSSCTSKCTSDBACE1
SCHEMBL24047212 0.75 CTSL (0.30) CTSLCTSS
SCHEMBL23126982 0.72 CTSL (0.36) CTSLCTSSCTSKBACE1
SCHEMBL23100449 0.72 CTSL (0.36) CTSLCTSSCTSKBACE1

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 3889/4885CTSK 2688/4885

“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.