SCHEMBL14117635

SCHEMBL14117635

CC(C)C(C(=O)NC(C)(C)C)[C@H](CCC1CCCC1)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
CPB2 Q96IY4 1/20 0.38
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
METAP1 P53582 1/20 0.34
HDAC4 P56524 2/20 0.32
HDAC1 Q13547 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
CTSK P43235 2/20 0.32
CTSV O60911 1/20 0.32

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
SCHEMBL8244421 1.00 METAP2 (0.39) METAP2CPB2KMT2AMEN1MAPT
SCHEMBL8242020 0.94 METAP2 (0.33) METAP2CPB2MMP1FCER2MMP9
SCHEMBL14117623 0.94 METAP2 (0.33) METAP2CPB2MMP1FCER2MMP9
SCHEMBL8241927 0.85 CPB2 (0.38) METAP2CPB2KMT2AMEN1MAPT
SCHEMBL14117633 0.85 CPB2 (0.38) METAP2CPB2KMT2AMEN1MAPT
SCHEMBL14348151 0.84 METAP2 (0.39) METAP2CPB2METAP1SIGMAR1ALDH1A1
SCHEMBL8424741 0.84 METAP2 (0.39) METAP2CPB2METAP1SIGMAR1ALDH1A1
SCHEMBL14117626 0.83 CPB2 (0.44) METAP2CPB2KMT2AMEN1MAPT
SCHEMBL8235556 0.83 CPB2 (0.44) METAP2CPB2KMT2AMEN1MAPT
SCHEMBL13435042 0.83 METAP2 (0.41) METAP2CPB2KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-07-17 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-20080171735-A1 Coupling a solid phase bound succinic acid derivative by amidation to an aminolactam (1-methyl,2-oxo,3-amino,4-phenyl-2H-1,4-benzodiazepine) mediated by a uronium salt and a carbodiimide; releasing using dilute trifluoroacetic acid in dichloromethane; purified by chromatography; Alzeimer's; Down's PSEN1, APP, GABRA6 METAP2 3322/4885CPB2 2802/4885KMT2A 1611/4885

“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.