SCHEMBL5493765

SCHEMBL5493765

CN(CC(=O)Nc1cnn(C)c1N)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
S1PR1 P21453 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
AAK1 Q2M2I8 3/20 0.33
BUB1 O43683 1/20 0.33
PRSS1 P07477 1/20 0.32
TPSAB1 Q15661 1/20 0.32
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
GLS O94925 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL5493770 0.88 AAK1 (0.36) AAK1BUB1
SCHEMBL5501012 0.82 CA1 (0.34) CA1CA2GALR2MITFS1PR4
SCHEMBL5500017 0.78 TLR7 (0.36) CA1CA2LMNAAAK1KDM4E
SCHEMBL5499956 0.78 GALR2 (0.36) CA1CA2GALR2MITFS1PR4
SCHEMBL26227652 0.76 HTT (0.53) MITFLMNAHTTRAB9ABUB1
SCHEMBL7091482 0.75 HDAC3 (0.48) CA1CA2AAK1TDP1
SCHEMBL5500022 0.73 CNR2 (0.32)
SCHEMBL5493771 0.72 CCNC (0.41) CA1CA2LMNATDP1
SCHEMBL5497817 0.71 CCNC (0.46) CA1CA2TDP1
SCHEMBL937773 0.70 KMT2A (0.45) LMNATP53HTTKDM4E

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 8 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
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 997/4885GALR2 2036/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 CA1 3104/4885CA2 691/4885GALR2 2325/4885

“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.