SCHEMBL29969873

SCHEMBL29969873

COc1ncc(Br)cc1NS(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 2/20 0.64
PGR P06401 3/20 0.52
MAP3K20 Q9NYL2 4/20 0.49
BRAF P15056 1/20 0.49
PIK3CG P48736 1/20 0.49
SLC40A1 Q9NP59 1/20 0.49
PTGES2 Q9H7Z7 3/20 0.48
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
WDR5 P61964 1/20 0.47
PIK3CD O00329 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL21513796 1.00 CCR4 (0.64) CCR4PGRMAP3K20BRAFPIK3CG
SCHEMBL22447546 0.86 CCR4 (0.59) CCR4MAP3K20PIK3CGPIK3CD
SCHEMBL358926 0.86 PIK3CG (0.63) CCR4PIK3CGSLC40A1PTGES2PIK3CD
SCHEMBL789565 0.83 PIK3CA (0.57) BRAFPIK3CGSLC40A1PIK3CD
SCHEMBL29969152 0.83 ALDH1A1 (0.50) CCR4PIK3CGSLC40A1MAPT
SCHEMBL21513797 0.83 ALDH1A1 (0.50) CCR4PIK3CGSLC40A1MAPT
SCHEMBL22447721 0.82 GLO1 (0.46) CCR4MAP3K20PIK3CGPTGES2PIK3CD
SCHEMBL22447736 0.81 CCR4 (0.64) CCR4EDNRBEDNRAWDR5
SCHEMBL789512 0.81 KEAP1 (0.55) EDNRBEDNRA
SCHEMBL28549695 0.80 PIK3CG (0.50) CCR4PIK3CGPIK3CD

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 CCR4 4246/4885PGR 2294/4885MAP3K20 154/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 CCR4 4246/4885PGR 2294/4885MAP3K20 154/4885

“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.