SCHEMBL29670422

SCHEMBL29670422

Cc1cc(S(=O)(=O)NCCOCCOCCOCCCOCCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.46
POLB P06746 1/20 0.46
BCHE P06276 1/20 0.45
CNR2 P34972 1/20 0.45
ALDH1A1 P00352 5/20 0.43
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.42
CA1 P00915 7/20 0.42
CA2 P00918 7/20 0.42
CA12 O43570 5/20 0.42
CA9 Q16790 5/20 0.42
MAPT P10636 1/20 0.42
ACACB O00763 1/20 0.41
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SLC9A3 P48764 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22500916 0.88 MAPK1 (0.51) MAPK1LMNAPOLBALDH1A1HTT
SCHEMBL29389875 0.86 LMNA (0.54) MAPK1LMNAPOLBALDH1A1HTT
SCHEMBL30961792 0.86 MAPK1 (0.44) MAPK1LMNABCHECNR2ALDH1A1
SCHEMBL22521201 0.85 CA1 (0.47) ALDH1A1HTTCA1CA2CA12
SCHEMBL29390325 0.85 ALOX5 (0.46) LMNABCHECNR2ALDH1A1ALOX5
SCHEMBL29670329 0.82 CA1 (0.49) MAPK1ALDH1A1HTTALOX5CA1
SCHEMBL30980605 0.82 ALOX5 (0.48) LMNABCHECNR2ALDH1A1ALOX5
SCHEMBL24777229 0.80 MAPK1 (0.62) MAPK1POLBALDH1A1HTTALOX5
SCHEMBL17192608 0.80 KMT2A (0.50) LMNABCHECNR2ALDH1A1HTT
SCHEMBL29670437 0.80 ALOX5 (0.47) MAPK1POLBBCHECNR2ALDH1A1

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 MAPK1 1502/4885LMNA 1625/4885POLB 633/4885
US-20220153722-A1 CDK2/5 DEGRADERS AND USES THEREOF CDK2, CDK5, CDK5R1 MAPK1 1502/4885LMNA 1625/4885POLB 633/4885

“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.