SCHEMBL29969152

SCHEMBL29969152

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
ACLY P53396 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
SLC40A1 Q9NP59 1/20 0.47
PIK3CG P48736 1/20 0.47
CCR4 P51679 1/20 0.44
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43

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
SCHEMBL21513797 1.00 ALDH1A1 (0.50) ALDH1A1ACLYMEN1KMT2AMAPT
SCHEMBL358926 0.83 PIK3CG (0.63) SLC40A1PIK3CGCCR4PIK3CAMTOR
SCHEMBL29969873 0.83 CCR4 (0.64) MAPTSLC40A1PIK3CGCCR4
SCHEMBL21513796 0.83 CCR4 (0.64) MAPTSLC40A1PIK3CGCCR4
SCHEMBL789565 0.80 PIK3CA (0.57) SLC40A1PIK3CGPIK3CAMTOR
SCHEMBL15648432 0.79 PIK3CG (0.49) PIK3CGCCR4PIK3CAMTOR
SCHEMBL13975439 0.79 ACLY (0.55) ALDH1A1ACLYMEN1KMT2ASLC40A1
SCHEMBL13976112 0.79 SLC40A1 (0.58) ALDH1A1ACLYMEN1KMT2ASMN1; SMN2
SCHEMBL13975919 0.78 ACLY (0.53) ALDH1A1ACLYMEN1KMT2ASLC40A1
SCHEMBL789512 0.78 KEAP1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA

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 2 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
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 ALDH1A1 3354/4885ACLY 1245/4885MEN1 2696/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 ALDH1A1 3354/4885ACLY 1245/4885MEN1 2696/4885

“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.