SCHEMBL25751159

SCHEMBL25751159

CC(C)NCC(=O)NCC(=O)NS

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL24774067 0.81 PSMB5 (0.33) PSMB5ALDH1A1TDP1
SCHEMBL24004324 0.81 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL21955637 0.79 PSMB5 (0.32) PSMB5
SCHEMBL25132319 0.79 PSMB5 (0.32) PSMB5
SCHEMBL16920589 0.79 PSMB5 (0.32) PSMB5
SCHEMBL24307188 0.78 ALDH1A1 (0.33) PSMB5ALDH1A1LMNAMAPTPTGS2
SCHEMBL20698861 0.78 ALDH1A1 (0.48) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL15980869 0.78 ALDH1A1 (0.46) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL15502266 0.77 KDM4E (0.31)
SCHEMBL7749779 0.77 DPP4 (0.33) ALDH1A1

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-11685742-B2 Anti-tumor compound and preparation method and use thereof DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-06-27 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-11685742-B2 Anti-tumor compound and preparation method and use thereof RCC2, REN, VHL PSMB5 1658/4885ALDH1A1 3602/4885LMNA 1004/4885

“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.