SCHEMBL27032780

SCHEMBL27032780

COc1nc(C)cc(OC[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.52
▸ HDAC3 O15379 3/20 0.44
▸ HDAC4 P56524 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC7 Q8WUI4 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC11 Q96DB2 3/20 0.44
▸ HDAC8 Q9BY41 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ HDAC9 Q9UKV0 3/20 0.44
▸ HDAC5 Q9UQL6 3/20 0.44
▸ APP P05067 4/20 0.42
▸ AAK1 Q2M2I8 2/20 0.42
▸ ACE P12821 1/20 0.42
▸ KLK5 Q9Y337 1/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 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
SCHEMBL27129023 1.00 ATM (0.52) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL29828388 1.00 ATM (0.52) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL29097092 0.92 ATM (0.48) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL29097093 0.92 ATM (0.48) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL29828756 0.92 ATM (0.48) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL29097301 0.91 ATM (0.47) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL29828395 0.91 ATM (0.47) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL29097304 0.91 ATM (0.47) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL30639517 0.85 ATM (0.52) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL27129781 0.85 ATM (0.52) ATMHDAC3HDAC4HDAC1HDAC7

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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 — — US disclosed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 — — EP disclosed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 — — CN 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 ATM 1037/4885HDAC3 1127/4885HDAC4 2830/4885

“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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