SCHEMBL23518596

SCHEMBL23518596

CC(C)(C)CC(=O)NCc1ccccc1NC(=O)CC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 1/20 0.62
HPGD P15428 5/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL23518597 0.92 SMN1; SMN2 (0.54) SMN1; SMN2HTTHPGDGAACYP1A2
SCHEMBL23518551 0.89 SMN1; SMN2 (0.51) SMN1; SMN2HTTHPGDGAACYP1A2
SCHEMBL23518433 0.83 SMN1; SMN2 (0.86) SMN1; SMN2HTTHPGDGAACYP1A2
SCHEMBL22803102 0.81 HPGD (0.51) SMN1; SMN2HTTHPGDGAACYP1A2
SCHEMBL21765656 0.79 HDAC3 (0.50) SMN1; SMN2HTTHPGDGAAMAPT
SCHEMBL12243012 0.79 SMN1; SMN2 (0.68) SMN1; SMN2HTTHPGDGAACYP1A2
SCHEMBL24918809 0.78 HPGD (0.49) SMN1; SMN2HTTHPGDGAACYP1A2
SCHEMBL22803243 0.77 HPGD (0.48) SMN1; SMN2HTTHPGDGAACYP1A2
SCHEMBL14108273 0.77 MEN1 (0.55) SMN1; SMN2HPGDGAAMAPTLMNA
SCHEMBL26552903 0.77 SMN1; SMN2 (0.70) SMN1; SMN2HTTHPGDGAAMAPT

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 2559/4885HTT 1128/4885HPGD 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.