SCHEMBL24767282

SCHEMBL24767282

CC[C@H]1CC[C@@](C#N)(NC(C)=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.36
CTSK P43235 5/20 0.36
CTSL P07711 10/20 0.35
CTSB P07858 3/20 0.35
CTSC P53634 2/20 0.35
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ATM Q13315 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
SCHEMBL11252169 0.83 NPC1 (0.35) CTSSCTSKCTSLCTSBCTSC
SCHEMBL11321743 0.83 CTSS (0.33) CTSSCTSKCTSLCTSBCTSC
SCHEMBL13435738 0.80
SCHEMBL16358078 0.77 CTSS (0.46) CTSSCTSKCTSLCTSB
SCHEMBL25858713 0.77 CTSS (0.38) CTSSCTSKCTSLCTSBCTSC
SCHEMBL16372238 0.76 CTSC (0.38) CTSSCTSKCTSLCTSBCTSC
SCHEMBL8040888 0.76 CTSL (0.41) CTSSCTSKCTSLCTSBCTSC
SCHEMBL24767283 0.75 POLB (0.37) POLBKDM4E
SCHEMBL23795558 0.74 CTSB (0.42) CTSSCTSKCTSLCTSBPOLB
SCHEMBL87370 0.72 CTSS (0.51) CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. 2022-12-22 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-20220402910-A1 THIADIAZOLE IRAK4 INHIBITORS IRAK4, IRAK3, IRAK1 CTSS 4758/4885CTSK 4222/4885CTSL 4431/4885

“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.