SCHEMBL5493523

SCHEMBL5493523

CCn1ncc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1N

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.32
ACSS2 Q9NR19 1/20 0.32
CYP17A1 P05093 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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 0.89 ITGA4 (0.36) MAPKAPK2SMN1; SMN2NR1H4MEN1KMT2A
SCHEMBL5494802 0.89 ITGA4 (0.36) MAPKAPK2SMN1; SMN2NR1H4MEN1KMT2A
SCHEMBL5493756 0.85 GSK3B (0.33) MAPKAPK2NR1H4
SCHEMBL5494835 0.80 ACSS2 (0.36) MAPKAPK2ACSS2ALDH1A1MEN1KMT2A
SCHEMBL5493766 0.77 TLR7 (0.37) MAPKAPK2KDM4EALDH1A1MAPTCA1
SCHEMBL5493769 0.76 CA1 (0.41) KDM4ECA1CA2
SCHEMBL5493413 0.72 RAB9A (0.31) NR1H4MEN1KMT2A
SCHEMBL5493411 0.72 RAB9A (0.31) NR1H4MEN1KMT2A
SCHEMBL14819924 0.71 ALDH1A1 (0.43) SMN1; SMN2NR1H4ALDH1A1MEN1KMT2A
SCHEMBL5499516 0.71 CCNT1 (0.31)

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 MAPKAPK2 4584/4885ACSS2 1009/4885CYP17A1 1329/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 MAPKAPK2 4412/4885ACSS2 1294/4885CYP17A1 1234/4885

“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.