SCHEMBL22502018

SCHEMBL22502018

[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1-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 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 3/20 0.36
NQO2 P16083 1/20 0.33
LCK P06239 3/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
PAX8 Q06710 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL22502002 0.95 HSP90AA1 (0.35) HSP90AA1HSP90AB1NQO2LCKACACB
SCHEMBL22502015 0.92 HSP90AA1 (0.41) HSP90AA1HSP90AB1NQO2LCKACACB
SCHEMBL22501987 0.86 HSP90AA1 (0.39) HSP90AA1HSP90AB1NQO2LCKACACB
SCHEMBL31546947 0.86 HSP90AA1 (0.39) HSP90AA1HSP90AB1NQO2LCKACACB
SCHEMBL30588742 0.84 HSP90AA1 (0.38) HSP90AA1HSP90AB1NQO2ACACBACACA
SCHEMBL26129010 0.84 HSP90AA1 (0.38) HSP90AA1HSP90AB1NQO2ACACBACACA
SCHEMBL24323283 0.83 LMNA (0.37) HSP90AA1HSP90AB1LCK
SCHEMBL29600537 0.83 LMNA (0.37) HSP90AA1HSP90AB1LCK
SCHEMBL25346452 0.81 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL24326460 0.81 HSP90AA1 (0.40) HSP90AA1HSP90AB1ACACBACACAPAX8

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421251-B2 Cystic fibrosis transmembrane conductance regulator modulating agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-09-23 US disclosed
CN-113905785-B Cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-07-19 CN disclosed
EP-4335498-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS Vertex Pharmaceuticals Incorporated (US) 2024-03-13 EP disclosed
EP-3946595-B1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS VERTEX PHARMA (US) 2023-11-15 EP disclosed
US-20220372047-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2022-11-24 US disclosed
EP-3946595-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS Vertex Pharmaceuticals Incorporated (US) 2022-02-09 EP disclosed
CN-113905785-A Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2022-01-07 CN disclosed
WO-2020206080-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-10-08 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 (2 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-20220372047-A1 CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS CFTR, SCNN1G, CLCN2 HSP90AA1 1899/4885HSP90AB1 1426/4885NQO2 351/4885
US-12421251-B2 Cystic fibrosis transmembrane conductance regulator modulating agents CFTR, SCNN1G, CLCN2 HSP90AA1 1899/4885HSP90AB1 1426/4885NQO2 351/4885

“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.