SCHEMBL30639799

SCHEMBL30639799

CNC(=O)[C@@H](CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.52
TLR2 O60603 2/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MDM2 Q00987 1/20 0.44
MDM4 O15151 1/20 0.42
TP53 P04637 1/20 0.42
IDO1 P14902 3/20 0.42
YAP1 P46937 1/20 0.41

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
SCHEMBL26105252 1.00 BACE1 (0.52) BACE1TLR2KDM4EPKMMDM2
SCHEMBL30639789 1.00 BACE1 (0.52) BACE1TLR2KDM4EPKMMDM2
SCHEMBL25355242 0.91 BACE1 (0.53) BACE1TLR2KDM4EPKMMDM2
SCHEMBL5434114 0.91 BACE1 (0.53) BACE1TLR2KDM4EPKMMDM2
SCHEMBL25356332 0.91 BACE1 (0.53) BACE1TLR2KDM4EPKMMDM2
SCHEMBL31627392 0.91 BACE1 (0.53) BACE1TLR2KDM4EPKMMDM2
SCHEMBL26105646 0.88 TLR2 (0.49) BACE1TLR2MDM2MDM4TP53
SCHEMBL26112949 0.88 TLR2 (0.49) BACE1TLR2MDM2MDM4TP53
SCHEMBL26105645 0.88 TLR2 (0.49) BACE1TLR2MDM2MDM4TP53
SCHEMBL1763640 0.85 IDO1 (0.50) BACE1TLR2KDM4EPKMMDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304550-A1 BROMODOMAIN AND EXTRA-TERMINAL (BET) SUBFAMILY BROMODOMAIN 1 (BD1) SELECTIVE INHIBITORS AND METHODS USING SAME BAYLOR COLLEGE MEDICINE (US) 2025-10-02 US disclosed
EP-4504701-A1 BROMODOMAIN AND EXTRA-TERMINAL (BET) SUBFAMILY BROMODOMAIN 1 (BD1) SELECTIVE INHIBITORS AND METHODS USING SAME Baylor College of Medicine (US) 2025-02-12 EP disclosed
WO-2023196455-A1 BROMODOMAIN AND EXTRA-TERMINAL (BET) SUBFAMILY BROMODOMAIN 1 (BD1) SELECTIVE INHIBITORS AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2023-10-12 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-20250304550-A1 BROMODOMAIN AND EXTRA-TERMINAL (BET) SUBFAMILY BROMODOMAIN 1 (BD1) SELECTIVE INHIBITORS AND METHODS USING SAME BRDT, BRD3, BRD1 BACE1 2642/4885TLR2 1762/4885KDM4E 601/4885

“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.