SCHEMBL12725706

SCHEMBL12725706

CB(O)N1CCC(CCOS(C)(=O)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ATM Q13315 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.30

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
SCHEMBL13003441 0.84 — —
SCHEMBL1613295 0.77 USP2 (0.50) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL20300385 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL458216 0.76 GPR119 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL23387564 0.76 GPR119 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL3516214 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL2369188 0.75 GPR119 (0.38) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL23151890 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL4282842 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2LMNAMMP9
SCHEMBL1108982 0.73 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2LMNAMMP9

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-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 — — US disclosed
US-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 — — 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 (1 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 ALDH1A1 2679/4885KDM4E 1007/4885USP2 2633/4885

“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.

Send feedback