SCHEMBL27032862

SCHEMBL27032862

CC(C)(C)OC(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ KLK7 P49862 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.48
▸ TNF P01375 1/20 0.47
▸ CACNA1B Q00975 5/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ MDM4 O15151 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ IDO1 P14902 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
SCHEMBL31348948 1.00 HDAC1 (0.48) HDAC1HDAC2KLK7KLK5TNF
SCHEMBL31348954 1.00 HDAC1 (0.48) HDAC1HDAC2KLK7KLK5TNF
SCHEMBL27128254 1.00 HDAC1 (0.48) HDAC1HDAC2KLK7KLK5TNF
SCHEMBL29554781 1.00 HDAC1 (0.48) HDAC1HDAC2KLK7KLK5TNF
SCHEMBL15883745 1.00 HDAC1 (0.48) HDAC1HDAC2KLK7KLK5TNF
SCHEMBL20418498 0.92 KLK7 (0.52) HDAC1HDAC2KLK7KLK5TNF
SCHEMBL29447512 0.92 KLK7 (0.52) HDAC1HDAC2KLK7KLK5TNF
SCHEMBL14728042 0.90 HDAC1 (0.51) HDAC1HDAC2TNFMDM4TP53
SCHEMBL29768867 0.90 HDAC1 (0.51) HDAC1HDAC2TNFMDM4TP53
SCHEMBL15883749 0.89 CASP3 (0.48) CACNA1BCASP3MDM4TP53

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
WO-2025005639-A1 CATIONIC AMPHIPHILIC POLYPEPTIDE FOR RNA DELIVERY AND MANUFACTURING METHOD THEREOF 인하대학교 산학협력단 2025-01-02 — — WO disclosed
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 HDAC1 1543/4885HDAC2 2131/4885KLK7 3334/4885

“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.

Send feedback