SCHEMBL5497748

SCHEMBL5497748

CC(C)(C)OC(=O)NCCC(=O)Nc1cnn2c1NCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
EPHX1 P07099 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
GFER P55789 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
SCHEMBL5497846 0.94 KDM4E (0.38) KDM4EPOLBCYP3A4ALDH1A1NPSR1
SCHEMBL5496128 0.91 EPHX1 (0.40) CYP3A4ALDH1A1NPSR1LMNAMAPT
SCHEMBL5500029 0.90 NPFFR1 (0.37) ALDH1A1TSHRSIGMAR1SUV39H2
SCHEMBL5500895 0.83 NPFFR1 (0.38) KDM4ECYP3A4ALDH1A1LMNATSHR
SCHEMBL4207415 0.77 MEN1 (0.37) KDM4EALDH1A1NPSR1LMNAMAPT
SCHEMBL5499516 0.77 CCNT1 (0.31)
SCHEMBL5499497 0.77 CCNT1 (0.31)
SCHEMBL4206277 0.72 MEN1 (0.34) POLBALDH1A1NPSR1MAPTTDP1
SCHEMBL3111541 0.72 CCNT1 (0.37)
SCHEMBL13936405 0.72 CA1 (0.49) KDM4EPOLBALDH1A1MAPTHPGD

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.