SCHEMBL26886458

SCHEMBL26886458

CC(C)C(=O)Nc1cccc2c(O)cc(C(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ IDO1 P14902 2/20 0.46
▸ MDM4 O15151 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CDC25B P30305 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CETP P11597 1/20 0.43
▸ PRMT1 Q99873 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ IP6K1 Q92551 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
SCHEMBL26886460 0.86 KDM4E (0.52) LMNAIDO1MDM4TP53POLB
SCHEMBL26885028 0.83 LMNA (0.49) LMNAIDO1MDM4TP53GAA
SCHEMBL26885099 0.81 IDO1 (0.62) LMNAIDO1MDM4TP53CDC25B
SCHEMBL26886462 0.80 MEN1 (0.47) LMNAMDM4TP53GAAL3MBTL1
SCHEMBL26886379 0.79 TRPV1 (0.54) LMNAMDM4TP53POLBL3MBTL1
SCHEMBL26885746 0.78 LMNA (0.48) LMNAIDO1MDM4TP53POLB
SCHEMBL11737069 0.78 MDM4 (0.63) LMNAIDO1MDM4TP53POLB
SCHEMBL26885113 0.77 KMT2A (0.47) LMNAIDO1POLBGAARAB9A
SCHEMBL6672729 0.76 GAA (0.62) MDM4TP53POLBGAAL3MBTL1
SCHEMBL26886419 0.76 PTPN1 (0.53) LMNAMDM4TP53CDC25BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF UNIVERSITY OF MIAMI 2023-11-30 — — US 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-20230381159-A1 SMALL MOLECULE INHIBITORS OF CORONAVIRUS ATTACHMENT AND ENTRY, METHODS AND USES THEREOF ACE2, ACE, SARS1 LMNA 2523/4885IDO1 1711/4885MDM4 3610/4885

“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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