SCHEMBL23518474

SCHEMBL23518474

CC(C)CC(=O)NCCCCNC(=O)CC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 3/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 1/20 0.42
BRD4 O60885 2/20 0.40
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
CASP2 P42575 1/20 0.36
EPHX1 P07099 1/20 0.36
PSMB5 P28074 1/20 0.36
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL22484141 0.92 SMN1; SMN2 (0.47) SMN1; SMN2TP53HPGDKMT2AALDH1A1
SCHEMBL18199495 0.86 SMN1; SMN2 (0.66) SMN1; SMN2TP53HPGDKMT2AALDH1A1
SCHEMBL19456620 0.85 SMN1; SMN2 (0.53) SMN1; SMN2TP53HPGDKMT2AALDH1A1
SCHEMBL18194476 0.84 KMT2A (0.43) SMN1; SMN2TP53HPGDKMT2AALDH1A1
SCHEMBL23518488 0.84 MEN1 (0.52) SMN1; SMN2HPGDKMT2AALDH1A1MEN1
SCHEMBL26159768 0.84 ALDH1A1 (0.41) SMN1; SMN2TP53HPGDKMT2AALDH1A1
SCHEMBL25837453 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TP53HPGDKMT2AALDH1A1
SCHEMBL24489956 0.84 ALDH1A1 (0.41) SMN1; SMN2TP53HPGDKMT2AALDH1A1
SCHEMBL25837450 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TP53HPGDKMT2AALDH1A1
SCHEMBL13616900 0.83 SMN1; SMN2 (0.54) SMN1; SMN2TP53HPGDKMT2AALDH1A1

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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF PARABILIS MEDICINES, INC. 2021-06-17 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-20210179665-A1 COLLECTIONS OF PEPTIDES, PEPTIDE AGENTS, AND METHODS OF USE THEREOF IAPP, VIP, NGLY1 SMN1; SMN2 2559/4885TP53 63/4885HPGD 4326/4885

“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.