SCHEMBL29968164

SCHEMBL29968164

COc1cccc(S(=O)(=O)Nc2cc(Br)cnc2OCCCN(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
GLO1 Q04760 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
GAA P10253 1/20 0.47
CACNA1B Q00975 5/20 0.44
CACNA1H O95180 3/20 0.44
ALPL P05186 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FFAR4 Q5NUL3 1/20 0.42
TRIM24 O15164 1/20 0.42
PGR P06401 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL21512855 1.00 KEAP1 (0.47) KEAP1NFE2L2GLO1SLC40A1GAA
SCHEMBL29969263 0.89 CACNA1B (0.48) CACNA1BCACNA1HFFAR4HDAC3HDAC4
SCHEMBL21513746 0.89 CACNA1B (0.48) CACNA1BCACNA1HFFAR4HDAC3HDAC4
SCHEMBL29970032 0.88 CACNA1B (0.51) SLC40A1CACNA1BCACNA1H
SCHEMBL21513456 0.85 SLC40A1 (0.44) KEAP1NFE2L2GLO1SLC40A1CACNA1B
SCHEMBL29969232 0.85 SLC40A1 (0.44) KEAP1NFE2L2GLO1SLC40A1CACNA1B
SCHEMBL29969654 0.85 CACNA1B (0.47) SLC40A1CACNA1BCACNA1HHDAC3HDAC4
SCHEMBL26130327 0.85 CACNA1B (0.47) SLC40A1CACNA1BCACNA1HHDAC3HDAC4
SCHEMBL21513747 0.85 CACNA1H (0.47) SLC40A1GAACACNA1BCACNA1HPGR
SCHEMBL21513752 0.85 CACNA1B (0.48) GLO1SLC40A1CACNA1BCACNA1HTRIM24

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-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 US 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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 KEAP1 1063/4885NFE2L2 838/4885GLO1 4474/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 KEAP1 1063/4885NFE2L2 838/4885GLO1 4474/4885

“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.