SCHEMBL25869803

SCHEMBL25869803

CN[C@H](C(=O)NCC(=O)NC(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.36
MEN1 O00255 1/20 0.35
FAAH O00519 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ECE1 P42892 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
TSHR P16473 1/20 0.32
KDM1A O60341 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
GPR139 Q6DWJ6 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
SCHEMBL25748797 0.85 KMT2A (0.35) PSMB5MEN1FAAHMAPK1KMT2A
SCHEMBL20756387 0.85 ALDH1A1 (0.35) PSMB5ECE1ALDH1A1LMNAMAPT
SCHEMBL22814739 0.85 ALDH1A1 (0.35) PSMB5ECE1ALDH1A1LMNAMAPT
SCHEMBL17791875 0.81 ECE1 (0.33) ECE1ALDH1A1LMNAMAPTPTGS2
SCHEMBL23743699 0.79 ALDH1A1 (0.36) MEN1KMT2AECE1ALDH1A1LMNA
SCHEMBL22695761 0.79 ALDH1A1 (0.36) MEN1KMT2AECE1ALDH1A1LMNA
SCHEMBL3338670 0.79 ALDH1A1 (0.55) FAAHMAPK1ECE1ALDH1A1LMNA
SCHEMBL29697722 0.79 ALDH1A1 (0.55) FAAHMAPK1ECE1ALDH1A1LMNA
SCHEMBL17305531 0.79 ALDH1A1 (0.55) FAAHMAPK1ECE1ALDH1A1LMNA
SCHEMBL12138290 0.78 KMT2A (0.41) PSMB5MEN1FAAHMAPK1KMT2A

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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF DUALITY BIOLOGICS (SUZHOU) CO., LTD. (CN) 2023-07-06 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-20230212182-A1 ANTI-TUMOR COMPOUND AND PREPARATION METHOD AND USE THEREOF RCC2, REN, VHL PSMB5 1658/4885MEN1 6/4885FAAH 3477/4885

“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.