SCHEMBL29548383

SCHEMBL29548383

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.40
UCHL1 P09936 1/20 0.40
CHRNA7 P36544 3/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MCL1 Q07820 1/20 0.37
BACE1 P56817 4/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
USP30 Q70CQ3 1/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 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
SCHEMBL29548644 0.88 SCN1A (0.48) UCHL1MCL1BACE1BACE2USP30
SCHEMBL29548397 0.88 SCN1A (0.48) UCHL1MCL1BACE1BACE2USP30
SCHEMBL29548713 0.86 UCHL1 (0.41) HTRA1UCHL1CHRNA7HTR3EHTR3B
SCHEMBL9006283 0.83 MMP2 (0.46) HTRA1UCHL1CHRNA7HTR3EHTR3B
SCHEMBL29548767 0.82 NPC1 (0.44) UCHL1USP30
SCHEMBL29549024 0.82 MCL1 (0.48) CHRNA7MCL1PRMT5
SCHEMBL29548231 0.82 BACE1 (0.40) UCHL1MCL1BACE1BACE2USP30
SCHEMBL29548088 0.81 USP30 (0.46) UCHL1MCL1BACE1BACE2USP30
SCHEMBL29548169 0.81 BACE1 (0.44) UCHL1MCL1BACE1BACE2USP30
SCHEMBL20705029 0.80 CHRNA7 (0.44) HTRA1UCHL1CHRNA7HTR3EHTR3B

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 HTRA1 2746/4885UCHL1 3033/4885CHRNA7 4778/4885

“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.