SCHEMBL24543237

SCHEMBL24543237

CC(C)(C)NC(=O)[C@H](CO)NCCC#N

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.33
▸ CTSK P43235 8/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 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
SCHEMBL24543232 0.85 CTSS (0.36) CTSSCTSKCTSLCTSB
SCHEMBL24542837 0.77 ECE1 (0.35) —
SCHEMBL24542838 0.75 MMP3 (0.33) —
SCHEMBL24543149 0.71 SPHK1 (0.36) —
SCHEMBL13428229 0.67 HDAC2 (0.32) —
SCHEMBL16295787 0.67 GRN (0.42) CTSSCTSKCTSLCTSB
SCHEMBL15705544 0.66 PTGS1 (0.63) —
SCHEMBL5902685 0.65 MME (0.35) —
SCHEMBL11583484 0.65 ALDH1A1 (0.47) CTSSCTSKCTSLCTSB
SCHEMBL11583486 0.65 ALDH1A1 (0.47) 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-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-23 — — 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-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases GCK, KHK, HK1 CTSS 1779/4885CTSK 252/4885CTSL 2684/4885

“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.

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