SCHEMBL22833591

SCHEMBL22833591

COC(=O)CN1C(=O)CCC1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR2 O43614 6/20 0.36
HCRTR1 O43613 5/20 0.36
P2RX7 Q99572 7/20 0.36
BRD4 O60885 1/20 0.35
KMT2A Q03164 1/20 0.33

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
SCHEMBL22833585 0.91 HCRTR1 (0.40) TP53MDM2HCRTR2HCRTR1
SCHEMBL9122938 0.85 ABL1 (0.49) KDM4ESMN1; SMN2KMT2A
SCHEMBL22854675 0.81 TP53 (0.38) TP53MDM2HCRTR2HCRTR1P2RX7
SCHEMBL9127051 0.80 TSHR (0.39) HCRTR2HCRTR1P2RX7
SCHEMBL9831208 0.78 TP53 (0.45) TP53MDM2KDM4ESMN1; SMN2BRD4
SCHEMBL10881007 0.75 TP53 (0.44) TP53MDM2P2RX7BRD4KMT2A
SCHEMBL10881010 0.75 TP53 (0.44) TP53MDM2P2RX7BRD4KMT2A
SCHEMBL26744988 0.75 TP53 (0.44) TP53MDM2KDM4ESMN1; SMN2P2RX7
SCHEMBL26744929 0.75 TP53 (0.44) TP53MDM2KDM4ESMN1; SMN2P2RX7
SCHEMBL22833713 0.74 TP53 (0.46) TP53MDM2KDM4ESMN1; SMN2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
US-20230014226-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2023-01-19 US disclosed
CN-115594680-A TEAD inhibitor 武汉人福创新药物研发中心有限公司(CN) 2023-01-13 CN disclosed
EP-3986559-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-04-27 EP disclosed
CN-114340734-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-04-12 CN disclosed
WO-2020260871-A1 NEW COMPOUNDS AND METHODS BENEVOLENTAI BIO LIMITED (GB) 2020-12-30 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-20230014226-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK TP53 336/4885MDM2 1075/4885KDM4E 3546/4885

“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.