SCHEMBL5495034

SCHEMBL5495034

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
TDP1 Q9NUW8 2/20 0.39
ABL1 P00519 1/20 0.37
PDGFRB P09619 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPK14 Q16539 1/20 0.37
KDM4E B2RXH2 3/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
WDR5 P61964 1/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
SUV39H2 Q9H5I1 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL5493769 0.89 CA1 (0.41) CA1CA2TDP1ABL1PDGFRB
SCHEMBL5492776 0.89 ITGA4 (0.36) TDP1KDM4ETLR7WDR5ITGA4
SCHEMBL6066213 0.83 TDP1 (0.36) CA1CA2TDP1KDM4EITGA4
SCHEMBL5493766 0.77 TLR7 (0.37) CA1CA2KDM4ETLR7WDR5
SCHEMBL28755118 0.77 KMT2A (0.32) SRCMAPK14ITGA4ITGB7
SCHEMBL5148644 0.77 KDM4E (0.41) CA1CA2TDP1KDM4EPOLB
SCHEMBL5494797 0.77 ITGA4 (0.36) ITGA4ITGB7
SCHEMBL5494802 0.77 ITGA4 (0.36) ITGA4ITGB7
SCHEMBL5493771 0.76 CCNC (0.41) CA1CA2TDP1POLBALDH1A1
SCHEMBL5500017 0.75 TLR7 (0.36) CA1CA2KDM4ETLR7WDR5

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 10 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
CN-100343260-C Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2007-10-17 CN 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
CN-1708502-A Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-14 CN 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 CA1 3697/4885CA2 997/4885TDP1 3818/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CA1 3104/4885CA2 691/4885TDP1 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.