SCHEMBL6133587

SCHEMBL6133587

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GFER P55789 1/20 0.44
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NAMPT P43490 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
NQO2 P16083 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
TSHR P16473 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 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
SCHEMBL6133027 0.92 ALDH1A1 (0.46) ALDH1A1GFERHTTNPSR1NAMPT
SCHEMBL25056442 0.82 ALDH1A1 (0.46) ALDH1A1GFERHTTNPSR1NAMPT
SCHEMBL6133119 0.80 ITGA4 (0.38) ALDH1A1GFERNAMPTSIGMAR1IDO1
SCHEMBL24255779 0.78 GSK3B (0.37) NAMPTIDO1
SCHEMBL6133004 0.76 LMNA (0.38) HTTTSHR
SCHEMBL20262397 0.74 ITGA4 (0.36) ALDH1A1GFERMAPTTSHRIDO1
SCHEMBL5493771 0.74 CCNC (0.41) ALDH1A1GFERCCNCCDK8TDP1
SCHEMBL24192594 0.73 CA12 (0.40) ALDH1A1GFERMEN1GAAKMT2A
SCHEMBL16118399 0.73 CCNC (0.40) ALDH1A1GFERCCNCCDK8MEN1
SCHEMBL2173526 0.73 MAPK1 (0.41) NAMPTIDO1

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-20050004094-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 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-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.