SCHEMBL24530131

SCHEMBL24530131

COC(=O)[C@H](CC1CC1)NC(=O)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 3/20 0.49
▸ HDAC1 Q13547 4/20 0.48
▸ HDAC6 Q9UBN7 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PARP1 P09874 1/20 0.47
▸ PARP3 Q9Y6F1 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CCR1 P32246 1/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL24530135 0.87 PIN1 (0.53) HDAC1HDAC6SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL29144589 0.87 PIN1 (0.53) HDAC1HDAC6SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL22871649 0.84 YAP1 (0.61) YAP1CCR1GAA
SCHEMBL24530132 0.84 CTSL (0.57) —
SCHEMBL7281178 0.82 ALDH1A1 (0.53) HDAC1HDAC6PARP1PARP3ALDH1A1
SCHEMBL7281189 0.82 ALDH1A1 (0.53) HDAC1HDAC6PARP1PARP3ALDH1A1
SCHEMBL9441281 0.82 ALDH1A1 (0.53) HDAC1HDAC6PARP1PARP3ALDH1A1
SCHEMBL4145476 0.82 HDAC1 (0.63) HDAC1HDAC6PARP1PARP3POLB
SCHEMBL4145473 0.82 HDAC1 (0.63) HDAC1HDAC6PARP1PARP3POLB
SCHEMBL5966500 0.82 HDAC1 (0.63) HDAC1HDAC6PARP1PARP3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263502-B1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS NXERA PHARMA UK LTD (GB) 2024-12-25 — — EP disclosed
US-20240083845-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2024-03-14 — — US disclosed
EP-4263502-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS Heptares Therapeutics Limited (GB) 2023-10-25 — — EP disclosed
WO-2022129953-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 — — WO disclosed
WO-2022129953-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 — — 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-20240083845-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS ACE2, SARS1, ACE YAP1 2324/4885HDAC1 1642/4885HDAC6 505/4885

“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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