SCHEMBL29548397

SCHEMBL29548397

CC(C)(C)OC(=O)[C@@H]1C[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.48
SCN2A Q99250 1/20 0.48
SCN3A Q9NY46 1/20 0.48
USP30 Q70CQ3 3/20 0.47
UCHL1 P09936 1/20 0.46
BACE1 P56817 4/20 0.45
BACE2 Q9Y5Z0 1/20 0.45
MCL1 Q07820 11/20 0.44

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
SCHEMBL29548644 1.00 SCN1A (0.48) SCN1ASCN2ASCN3AUSP30UCHL1
SCHEMBL29548088 0.91 USP30 (0.46) SCN1ASCN2ASCN3AUSP30UCHL1
SCHEMBL29548169 0.90 BACE1 (0.44) SCN1ASCN2ASCN3AUSP30UCHL1
SCHEMBL29548231 0.90 BACE1 (0.40) SCN1ASCN2ASCN3AUSP30UCHL1
SCHEMBL29548713 0.89 UCHL1 (0.41) USP30UCHL1BACE1MCL1
SCHEMBL29548594 0.89 NR1H2 (0.43) SCN1ASCN2ASCN3AUSP30UCHL1
SCHEMBL29548383 0.88 HTRA1 (0.40) SCN1ASCN2ASCN3AUSP30UCHL1
SCHEMBL29548188 0.87 SCN1A (0.50) SCN1ASCN2ASCN3AUCHL1MCL1
SCHEMBL29548774 0.87 USP30 (0.45) SCN1ASCN2ASCN3AUSP30UCHL1
SCHEMBL29548221 0.87 UCHL1 (0.47) UCHL1BACE1BACE2MCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416199-A1 INHIBITORS OF AMINO ACID TRANSPORT ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-12-28 US disclosed
WO-2022087630-A1 INHIBITORS OF AMINO ACID TRANSPORT ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 WO 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-20230416199-A1 INHIBITORS OF AMINO ACID TRANSPORT SLC1A5, SLC7A1, SLC7A5 SCN1A 1867/4885SCN2A 1344/4885SCN3A 2281/4885

“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.