SCHEMBL6133027

SCHEMBL6133027

Cn1ncc(NC(=O)OC(C)(C)C)c1CCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
GFER P55789 1/20 0.46
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
NQO2 P16083 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL6133587 0.92 ALDH1A1 (0.44) ALDH1A1GFERHTTNPSR1NAMPT
SCHEMBL24255779 0.85 GSK3B (0.37) NAMPTKDM4ELMNA
SCHEMBL6133119 0.84 ITGA4 (0.38) ALDH1A1GFERNAMPTDRD2SIGMAR1
SCHEMBL25056442 0.84 ALDH1A1 (0.46) ALDH1A1GFERHTTNPSR1NAMPT
SCHEMBL20262397 0.81 ITGA4 (0.36) ALDH1A1GFERDRD2MAPTCA2
SCHEMBL6133004 0.80 LMNA (0.38) HTTLMNA
SCHEMBL2173526 0.77 MAPK1 (0.41) NAMPT
SCHEMBL18283999 0.76 CYP17A1 (0.39) NAMPTLMNAPOLBCA1CA2
SCHEMBL23009294 0.76 ATR (0.40) ALDH1A1NAMPTKDM4ELMNAPOLB
SCHEMBL22952416 0.76 GSK3B (0.39) NAMPTCA1CA2

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-20050004094-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
WO-2004101571-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-25 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-20050004094-A1 Cephem compounds CEP170, C1S, CEPT1 ALDH1A1 2105/4885GFER 1394/4885HTT 1106/4885

“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.