SCHEMBL29566720

SCHEMBL29566720

CC(C)c1ccccc1-c1cc(Cl)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.36
HSP90AB1 P08238 2/20 0.36
KCNA5 P22460 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
ACVR1B P36896 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
KDM4A O75164 1/20 0.32
USP1 O94782 2/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
PAX8 Q06710 1/20 0.32
PDPK1 O15530 1/20 0.32
LMNA P02545 1/20 0.32
PTPRC P08575 2/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL24309477 1.00 HSP90AA1 (0.36) HSP90AA1HSP90AB1KCNA5ACACBACACA
SCHEMBL24326460 0.85 HSP90AA1 (0.40) HSP90AA1HSP90AB1ACACBACACAKDM4A
SCHEMBL24323283 0.84 LMNA (0.37) HSP90AA1HSP90AB1LMNA
SCHEMBL29600537 0.84 LMNA (0.37) HSP90AA1HSP90AB1LMNA
SCHEMBL24331130 0.79 USP1 (0.33) KCNA5USP1
SCHEMBL29515161 0.79 USP1 (0.33) KCNA5USP1
SCHEMBL18167877 0.78 STK17B (0.37) HSP90AA1HSP90AB1ACACBACACAKDM4A
SCHEMBL22502015 0.77 HSP90AA1 (0.41) HSP90AA1HSP90AB1ACACBACACAPAX8
SCHEMBL22304529 0.77 ADORA2A (0.38) HSP90AA1HSP90AB1
SCHEMBL30080281 0.77 ADORA2A (0.38) HSP90AA1HSP90AB1

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HSP90AA1 1490/4885HSP90AB1 998/4885KCNA5 480/4885

“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.