SCHEMBL4776859

SCHEMBL4776859

CC(C)(C)OC(=O)N1CC[C@@](CO)(NC(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 10/20 0.45
PIK3CA P42336 10/20 0.45
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
EPHX2 P34913 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP30 Q70CQ3 1/20 0.38
NR1H2 P55055 1/20 0.38
ADAM17 P78536 1/20 0.37
SCD5 Q86SK9 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
SCHEMBL4778809 0.88 EPHX2 (0.39) PIK3R1PIK3CAPIK3CDPIK3CBEPHX2
SCHEMBL28930981 0.85 PIK3R1 (0.45) PIK3R1PIK3CAPIK3CDPIK3CBEPHX2
SCHEMBL23120825 0.81 CYP4F2 (0.39) PIK3R1PIK3CAPIK3CDPIK3CBEPHX2
SCHEMBL22469470 0.80 PIK3R1 (0.41) PIK3R1PIK3CAPIK3CDPIK3CBEPHX2
SCHEMBL1003155 0.80 USP2 (0.44) PIK3R1PIK3CAPIK3CDPIK3CBEPHX2
SCHEMBL24940830 0.79 MEN1 (0.43) PIK3R1PIK3CAUSP30
SCHEMBL12194260 0.78 CYP4F2 (0.47) CYP4F2CYP4A11USP2SMN1; SMN2USP30
SCHEMBL4727152 0.77 SCD5 (0.45) PIK3R1PIK3CAPIK3CDPIK3CBUSP30
SCHEMBL19625229 0.77 EPHX2 (0.39) PIK3R1PIK3CAPIK3CDPIK3CBEPHX2
SCHEMBL428600 0.77 NR1H2 (0.41) PIK3R1PIK3CAPIK3CDPIK3CBEPHX2

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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER INC. 2008-02-28 US disclosed
WO-2008012635-A2 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2008-01-31 WO 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-20080051419-A1 AMINE DERIVATIVES USEFUL AS ANTICANCER AGENTS CCNY, CCND2, CCND1 PIK3R1 1643/4885PIK3CA 3860/4885PIK3CD 3640/4885

“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.