SCHEMBL30681102

SCHEMBL30681102

COC(=O)c1ccc2c(c1F)C1(CCC(=O)CC1)C(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IP6K1 Q92551 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ BRD4 O60885 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ CRBN Q96SW2 4/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ NR4A2 P43354 2/20 0.32
▸ NPY5R Q15761 1/20 0.32

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
SCHEMBL30681125 0.86 IP6K1 (0.48) IP6K1KDM4EGLAGAACRBN
SCHEMBL30681127 0.83 PSEN1 (0.41) IP6K1CRBNBACE1
SCHEMBL30681143 0.76 IP6K1 (0.43) IP6K1KDM4EGLAGAABACE1
SCHEMBL22711811 0.73 IP6K1 (0.56) IP6K1CRBNMEN1KMT2A
SCHEMBL22711631 0.72 IP6K1 (0.44) IP6K1CRBNBACE1PARP1
SCHEMBL31414299 0.71 PGR (0.40) IP6K1MEN1KMT2A
SCHEMBL29621928 0.68 PGR (0.40) IP6K1MEN1KMT2ABACE1
SCHEMBL522062 0.68 CA12 (0.52) KDM4EGLAGAAPOLBABL1
SCHEMBL23778287 0.67 MEN1 (0.42) BRD4MEN1POLBKMT2ABACE1
SCHEMBL4398639 0.67 GAA (0.37) KDM4EGLAGAAPOLBABL1

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-20250346572-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF LIEBER INST INC (US) 2025-11-13 — — US disclosed
EP-4539838-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF Lieber Institute, Inc. (US) 2025-04-23 — — EP disclosed
WO-2023244657-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2023-12-21 — — 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-20250346572-A1 NON-ACID INHIBITORS OF INOSITOL HEXAKISPHOSPHATE KINASE (IP6K) AND METHODS OF USE THEREOF IP6K1, IP6K2, IP6K3 IP6K1 1/4885KDM4E 3177/4885GLA 2123/4885

“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.

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