SCHEMBL2400833

SCHEMBL2400833

CC(C)(C)C(CCCCN)NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.48
CPB2 Q96IY4 9/20 0.47
RNPEP Q9H4A4 1/20 0.47
FOLH1 Q04609 1/20 0.45
SLC6A5 Q9Y345 1/20 0.38
GABRR1 P24046 2/20 0.38
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL793739 0.96 CPB2 (0.46) GSRCPB2RNPEPFOLH1SLC6A5
SCHEMBL657408 0.88 GABRR1 (0.45) GSRCPB2RNPEPFOLH1SLC6A5
Hydrochloric Acid SCHEMBL1026854 0.86 GABRR1 (0.43) GSRCPB2RNPEPFOLH1SLC6A5
SCHEMBL28449984 0.85 GSR (0.39) GSRCPB2RNPEPFOLH1DPP8
SCHEMBL9995723 0.85 MMP3 (0.39) GSRCPB2
SCHEMBL3659774 0.83 PRSS1 (0.35) GSRCPB2FOLH1
SCHEMBL29029802 0.82 CA2 (0.50)
SCHEMBL4070665 0.82 MMP1 (0.34)
SCHEMBL3647951 0.81 MEN1 (0.32)
SCHEMBL333214 0.81 MEN1 (0.32)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017637-B2 Inhibitors of cdc phosphatases IPSEN PHARMA S.A.S. (FR) 2011-09-13 US disclosed
US-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-11-05 US disclosed
EP-1831209-B1 CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA (FR) 2009-08-12 EP disclosed
EP-1793825-A2 CHEMCIAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-13 EP disclosed
WO-2006036816-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-06 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-20090275624-A1 INHIBITORS OF CDC PHOSPHATASES CDC25C, CDC25A, CDC25B GSR 3924/4885CPB2 1885/4885RNPEP 3868/4885

“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.