SCHEMBL5494271

SCHEMBL5494271

NC(=O)c1cnn(CCO)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PDE4B Q07343 1/20 0.36
PDK2 Q15119 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK2 O60674 8/20 0.34
JAK1 P23458 8/20 0.34
JAK3 P52333 8/20 0.34
TYK2 P29597 7/20 0.34
MAP2K1 Q02750 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
GAA P10253 1/20 0.33
CDC7 O00311 1/20 0.32

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
SCHEMBL28760707 0.84 MEN1 (0.35) ALDH1A1PDK2MAPK1GAA
SCHEMBL6065728 0.82 SMN1; SMN2 (0.33) ALDH1A1MAPK1JAK2JAK1JAK3
SCHEMBL4204205 0.82 ALDH1A1 (0.41) RIPK2ALDH1A1PDE4BKDM4EHPGD
SCHEMBL6065937 0.82 GAA (0.35) ALDH1A1TSHRGAA
SCHEMBL3116816 0.80 GAA (0.35) MAPK1GAA
SCHEMBL19738133 0.79 RIPK2 (0.41) RIPK2ALDH1A1PDE4BKDM4EHPGD
SCHEMBL6065935 0.79 GAA (0.35) GAA
SCHEMBL4199889 0.77 GAA (0.32) GAA
SCHEMBL28760706 0.75 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL28760710 0.75 HSP90AA1 (0.37) ALDH1A1KDM4EGAA

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 10 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
CN-100343260-C Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2007-10-17 CN 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
CN-1708502-A Cephem compounds FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-14 CN 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 RIPK2 4303/4885ALDH1A1 1158/4885PDE4B 4754/4885
US-20040132994-A1 Cephem compounds CEP170, ABCB11, RCC2 RIPK2 4376/4885ALDH1A1 908/4885PDE4B 4692/4885

“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.