SCHEMBL5497846

SCHEMBL5497846

CC(C)(C)OC(=O)NCCC(=O)Nc1cnn2c1NCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
SUV39H2 Q9H5I1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
GFER P55789 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ABL1 P00519 1/20 0.34
PDGFRB P09619 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL5497748 0.94 KDM4E (0.37) KDM4EPOLBCYP3A4CA1CA2
SCHEMBL5500895 0.89 NPFFR1 (0.38) KDM4ECYP3A4SIGMAR1CCNCCDK8
SCHEMBL5496128 0.84 EPHX1 (0.40) CYP3A4NPSR1CCNCCDK8ALDH1A1
SCHEMBL5500029 0.83 NPFFR1 (0.37) SIGMAR1SUV39H2ALDH1A1DRD2
SCHEMBL5493411 0.76 RAB9A (0.31)
SCHEMBL4193786 0.76 MEN1 (0.38) KDM4ECYP3A4TDP1ALDH1A1GFER
SCHEMBL5493413 0.76 RAB9A (0.31)
SCHEMBL13936405 0.73 CA1 (0.49) KDM4EPOLBCA1CA2L3MBTL1
SCHEMBL5493769 0.73 CA1 (0.41) KDM4EPOLBCYP3A4CA1CA2
SCHEMBL5495034 0.71 CA1 (0.40) KDM4EPOLBCYP3A4CA1CA2

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 KDM4E 3379/4885POLB 3098/4885CYP3A4 477/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 KDM4E 3077/4885POLB 3260/4885CYP3A4 516/4885

“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.