SCHEMBL4727152

SCHEMBL4727152

Cc1cc(NC[C@@]2(NC(=O)O)CCN(C(=O)OC(C)(C)C)C2)no1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.45
PIK3R1 P27986 10/20 0.44
PIK3CA P42336 10/20 0.44
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
USP30 Q70CQ3 2/20 0.41
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL4776859 0.77 PIK3R1 (0.45) SCD5PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL4778809 0.76 EPHX2 (0.39) SCD5PIK3R1PIK3CAPIK3CDPIK3CB
SCHEMBL3325803 0.70 PKM (0.41) SCD5USP30PKM
SCHEMBL31382091 0.70 PKM (0.48) SCD5PKM
SCHEMBL3325807 0.68 GPR119 (0.41) SCD5USP30PKM
SCHEMBL207984 0.67 CHRM2 (0.44) SCD5KDM4EALDH1A1
SCHEMBL19625229 0.66 EPHX2 (0.39) PIK3R1PIK3CAPIK3CDPIK3CBUSP30
SCHEMBL5568440 0.66 HDAC2 (0.37) SCD5PIK3R1PIK3CA
SCHEMBL4780264 0.66 NPFFR1 (0.48)
SCHEMBL4780268 0.66 NPFFR1 (0.48)

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 SCD5 2749/4885PIK3R1 1643/4885PIK3CA 3860/4885

“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.