SCHEMBL31366482

SCHEMBL31366482

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)cc1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.50
CTSK P43235 1/20 0.50
PKM P14618 1/20 0.49
CA2 P00918 2/20 0.49
TP53 P04637 3/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
EGFR P00533 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL26332912 1.00 CTSS (0.50) CTSSCTSKPKMCA2TP53
SCHEMBL26332824 0.91 CTSS (0.49) CTSSCTSKPKMCA2TP53
SCHEMBL31366578 0.91 CTSS (0.49) CTSSCTSKPKMCA2TP53
SCHEMBL31366508 0.90 MEN1 (0.51) CTSSCTSKCA2LMNAMAPT
SCHEMBL26333064 0.90 MEN1 (0.51) CTSSCTSKCA2LMNAMAPT
SCHEMBL31366648 0.90 ALDH1A1 (0.49) CTSSCTSKCA2LMNAMAPT
SCHEMBL26332989 0.90 ALDH1A1 (0.49) CTSSCTSKCA2LMNAMAPT
SCHEMBL25412025 0.88 PKM (0.57) PKMTP53GAALMNAMAPT
SCHEMBL25412028 0.88 PKM (0.57) PKMTP53GAALMNAMAPT
SCHEMBL31366515 0.85 CTSS (0.48) CTSSCTSKCA2TP53LMNA

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-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE BARUCH S. BLUMBERG INSTITUTE 2025-06-19 US disclosed
CN-119072467-A Novel diazapine compounds targeting yellow fever virus non-structural 4B (NS 4B) protein and methods of use thereof 巴鲁克斯布伦博格研究所 2024-12-03 CN 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-20250197360-A1 NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE CUL4B, BRD4, CUL4A CTSS 3167/4885CTSK 3720/4885PKM 3012/4885

“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.