SCHEMBL5494802

SCHEMBL5494802

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)Nc1cnn(CCO)c1N

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
MAPKAPK2 P49137 4/20 0.32
IDO1 P14902 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL5494797 1.00 ITGA4 (0.36) ITGA4ITGB7MAPKAPK2IDO1GSK3B
SCHEMBL5493523 0.89 MAPKAPK2 (0.32) MAPKAPK2IDO1MEN1KMT2ASMN1; SMN2
SCHEMBL5493756 0.86 GSK3B (0.33) ITGA4ITGB7MAPKAPK2GSK3BDYRK1A
SCHEMBL5492776 0.78 ITGA4 (0.36) ITGA4ITGB7MAPKAPK2IDO1
SCHEMBL5495034 0.77 CA1 (0.40) ITGA4ITGB7
SCHEMBL6066213 0.73 TDP1 (0.36) ITGA4ITGB7MAPKAPK2IDO1MEN1
SCHEMBL14819924 0.72 ALDH1A1 (0.43) GSK3BDYRK1AMEN1GLAKMT2A
SCHEMBL5494835 0.72 ACSS2 (0.36) MAPKAPK2IDO1MEN1KMT2A
SCHEMBL5493411 0.71 RAB9A (0.31) GSK3BDYRK1AMEN1GLAKMT2A
SCHEMBL5493413 0.71 RAB9A (0.31) GSK3BDYRK1AMEN1GLAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-B9 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-09-09 EP disclosed
EP-1556389-B3 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-04-01 EP disclosed
EP-1556389-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2007-07-25 EP disclosed
US-20070037786-A1 Cephem compounds WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2007-02-15 US disclosed
US-7129232-B2 For therapy of of infectious diseases ASTELLAS PHARMA INC. (JP) 2006-10-31 US disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 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 (2 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-20070037786-A1 Cephem compounds CEP170, ABCB11, SLC7A1 ITGA4 3736/4885ITGB7 3000/4885MAPKAPK2 4584/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 ITGA4 3512/4885ITGB7 3253/4885MAPKAPK2 4412/4885

“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.