SCHEMBL29670437

SCHEMBL29670437

Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
BCHE P06276 1/20 0.43
CNR2 P34972 1/20 0.43
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
BRD4 O60885 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 2/20 0.39
CCNT1 O60563 1/20 0.38
FLT3 P36888 1/20 0.38
PIK3CA P42336 1/20 0.38
CDK9 P50750 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL30371931 0.99 ALOX5 (0.45) ALOX5BCHECNR2CA1CA2
SCHEMBL22500869 0.89 ALDH1A1 (0.43) CA1CA2ALDH1A1HTTMAPT
SCHEMBL30980605 0.86 ALOX5 (0.48) ALOX5BCHECNR2CA1CA2
SCHEMBL29389876 0.85 LMNA (0.47) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL29390325 0.84 ALOX5 (0.46) ALOX5BCHECNR2CA1CA2
SCHEMBL29393475 0.83 CA1 (0.45) BCHECNR2CA1CA2CA12
SCHEMBL30371848 0.82 CA1 (0.46) BCHECNR2CA1CA2CA12
SCHEMBL29451686 0.81 BRD4 (0.50) ALOX5CA1CA2CA12CA9
SCHEMBL22123709 0.81 ALDH1A1 (0.45) ALOX5BCHECNR2BRD4ALDH1A1
SCHEMBL22521203 0.81 CA1 (0.43) BCHECNR2CA1CA2CA12

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-12466809-B2 CDK2/5 degraders and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-11-11 US disclosed
EP-3947368-B1 BIFUNCTIONAL COMPOUNDS COMPRISING A CDK2/5 LIGAND, A LINKER AND A E3 UBIQUITIN LIGASE BINDING DEGRON FOR THE TREATMENT OF CANCER DANA FARBER CANCER INST INC (US) 2025-09-03 EP disclosed
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-05-19 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-12466809-B2 CDK2/5 degraders and uses thereof CDK2, CDK5, CDK5R1 ALOX5 3837/4885BCHE 2358/4885CNR2 3318/4885
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF CDK2, CDK5, CDK5R1 ALOX5 3837/4885BCHE 2358/4885CNR2 3318/4885

“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.