SCHEMBL5494835

SCHEMBL5494835

CCn1ncc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.36
CKS1B P61024 2/20 0.33
SKP1 P63208 2/20 0.33
SKP2 Q13309 2/20 0.33
CNR2 P34972 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SCD O00767 1/20 0.30
PDE4B Q07343 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
IDO1 P14902 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
SCHEMBL5498909 0.88 LPAR1 (0.35) ACSS2CKS1BSKP1SKP2CNR2
SCHEMBL5500498 0.81 NPFFR1 (0.36) ACSS2CKS1BSKP1SKP2MEN1
SCHEMBL5497926 0.80 TLR7 (0.38) ACSS2CKS1BSKP1SKP2ALDH1A1
SCHEMBL5493523 0.80 MAPKAPK2 (0.32) ACSS2MEN1KMT2AALDH1A1MAPKAPK2
SCHEMBL5526455 0.77 BRD9 (0.35) ACSS2CNR2MEN1KMT2ABRD9
SCHEMBL5147587 0.75 CKS1B (0.38) ACSS2CKS1BSKP1SKP2MEN1
SCHEMBL3109532 0.74 HDAC4 (0.35) MEN1KMT2AALDH1A1
SCHEMBL3109524 0.74 HDAC4 (0.35) MEN1KMT2AALDH1A1
SCHEMBL27620912 0.74 MEN1 (0.34) MEN1KMT2ALMNAALDH1A1MAPK1
SCHEMBL3122762 0.74 SIRT5 (0.38) MEN1KMT2AALDH1A1

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 ACSS2 1009/4885CKS1B 2311/4885SKP1 768/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 ACSS2 1294/4885CKS1B 2415/4885SKP1 382/4885

“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.