SCHEMBL5492776

SCHEMBL5492776

CC(C)(C)OC(=O)NCC(=O)Nc1cnn(CCO)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MAPKAPK2 P49137 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
WDR5 P61964 1/20 0.34
SUV39H2 Q9H5I1 2/20 0.34
AURKB Q96GD4 3/20 0.33
EGFR P00533 2/20 0.33
RAF1 P04049 1/20 0.33
KDR P35968 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAP2K1 Q02750 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL5495034 0.89 CA1 (0.40) ITGA4ITGB7TDP1TLR7HDAC3
SCHEMBL5493766 0.88 TLR7 (0.37) TLR7MAPKAPK2HDAC3HDAC1HDAC10
SCHEMBL5500017 0.86 TLR7 (0.36) TLR7MAPKAPK2HDAC3HDAC1HDAC10
SCHEMBL28755118 0.84 KMT2A (0.32) ITGA4ITGB7EGFRRAF1KDR
SCHEMBL6066213 0.81 TDP1 (0.36) ITGA4ITGB7TDP1MAPKAPK2KDM4E
SCHEMBL5148644 0.79 KDM4E (0.41) ITGA4ITGB7TDP1MAPKAPK2HDAC10
SCHEMBL5494797 0.78 ITGA4 (0.36) ITGA4ITGB7MAPKAPK2IDO1
SCHEMBL5494802 0.78 ITGA4 (0.36) ITGA4ITGB7MAPKAPK2IDO1
SCHEMBL5493769 0.77 CA1 (0.41) TDP1TLR7WDR5SUV39H2KDM4E
SCHEMBL3121390 0.73 ALDH1A1 (0.35) KDRLMNA

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 8 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
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
US-20040132994-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-08 US disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 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 (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 3000/4885TDP1 3818/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 ITGA4 3512/4885ITGB7 3253/4885TDP1 2856/4885

“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.