SCHEMBL26573222

SCHEMBL26573222

COC(=O)[C@@H](CC1CCCOC1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ AAK1 Q2M2I8 2/20 0.42
▸ NFKB1 P19838 2/20 0.39
▸ NFKB2 Q00653 2/20 0.39
▸ RELA Q04206 2/20 0.39
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ CACNA1B Q00975 6/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CTSL P07711 1/20 0.35

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
SCHEMBL30557041 0.93 CTSK (0.48) CTSSCTSKAAK1NFKB1NFKB2
SCHEMBL26129227 0.89 CTSS (0.53) CTSSCTSKAAK1HDAC4HDAC1
SCHEMBL26129228 0.89 CTSS (0.53) CTSSCTSKAAK1HDAC4HDAC1
SCHEMBL4576713 0.86 CTSK (0.63) CTSSCTSKAAK1NFKB1NFKB2
SCHEMBL29414317 0.86 CTSK (0.60) CTSSCTSKAAK1NFKB1NFKB2
SCHEMBL19385461 0.86 CTSK (0.63) CTSSCTSKAAK1NFKB1NFKB2
SCHEMBL4576704 0.86 CTSK (0.63) CTSSCTSKAAK1NFKB1NFKB2
SCHEMBL16800 0.85 CTSK (0.53) CTSSCTSKAAK1NFKB1NFKB2
SCHEMBL2199576 0.85 CTSK (0.53) CTSSCTSKAAK1NFKB1NFKB2
SCHEMBL2199572 0.85 CTSK (0.53) CTSSCTSKAAK1NFKB1NFKB2

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-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 — — US disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 — — EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — 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-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CTSS 2692/4885CTSK 2169/4885AAK1 3461/4885

“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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