SCHEMBL31366490

SCHEMBL31366490

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)cc1C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CA2 P00918 2/20 0.42
SUV39H2 Q9H5I1 2/20 0.41
EGFR P00533 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL26332989 0.92 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31366648 0.92 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL25409962 0.88 MEN1 (0.49) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL25409965 0.88 MEN1 (0.49) KDM4EMEN1KMT2ANPC1USP2
SCHEMBL26332824 0.86 CTSS (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL31366578 0.86 CTSS (0.49) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL21272261 0.82 MAPT (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL21272258 0.82 MAPT (0.47) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL21272191 0.81 TRPA1 (0.43) ALDH1A1HPGDMEN1KMT2ACTSS
SCHEMBL21272193 0.81 TRPA1 (0.43) ALDH1A1HPGDMEN1KMT2ACTSS

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 KDM4E 224/4885ALDH1A1 4616/4885HPGD 4668/4885

“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.