SCHEMBL29828751

SCHEMBL29828751

COc1cccc(CCNC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.46
IDO1 P14902 1/20 0.41
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 2/20 0.40
TNF P01375 1/20 0.40

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
SCHEMBL29828752 1.00 CACNA1B (0.46) CACNA1BIDO1MDM4TP53MDM2
SCHEMBL27128694 0.89 KMT2A (0.48) IDO1MDM4TP53MDM2
SCHEMBL27032856 0.89 KMT2A (0.48) IDO1MDM4TP53MDM2
SCHEMBL2249386 0.86 PTPN1 (0.49) IDO1MDM2
SCHEMBL28741610 0.84 MDM4 (0.46) CACNA1BMDM4TP53MDM2TNF
SCHEMBL15270998 0.84 MDM2 (0.44) MDM4TP53MDM2
SCHEMBL15270996 0.84 MDM2 (0.44) MDM4TP53MDM2
SCHEMBL30480132 0.83 CASP3 (0.45) MDM4TP53MDM2
SCHEMBL22454530 0.82 MDM4 (0.47) CACNA1BMDM4TP53MDM2
SCHEMBL29633732 0.82 MDM4 (0.47) CACNA1BMDM4TP53MDM2

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 4 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
WO-2022194399-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-22 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-20240208992-A1 MACROCYCLES AS CFTR MODULATORS CFTR, PKD1, ARRB1 CACNA1B 627/4885IDO1 4348/4885MDM4 4845/4885

“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.