SCHEMBL6133119

SCHEMBL6133119

Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CNR2 P34972 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
BRD4 O60885 1/20 0.35
SCD O00767 1/20 0.34
CYP17A1 P05093 1/20 0.34
IDO1 P14902 2/20 0.34
NR1H4 Q96RI1 1/20 0.33
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL6133004 0.85 LMNA (0.38) CNR2BRD9GSK3BDYRK1AMAPK14
SCHEMBL24255779 0.85 GSK3B (0.37) ITGA4ITGB7CNR2BRD9GSK3B
SCHEMBL6133027 0.84 ALDH1A1 (0.46) DRD2ALDH1A1GFERSIGMAR1NAMPT
SCHEMBL20262397 0.84 ITGA4 (0.36) ITGA4ITGB7CNR2BRD9GSK3B
SCHEMBL6133587 0.80 ALDH1A1 (0.44) IDO1ALDH1A1GFERSIGMAR1NAMPT
SCHEMBL22952416 0.79 GSK3B (0.39) ITGA4ITGB7CNR2BRD9GSK3B
SCHEMBL2173526 0.77 MAPK1 (0.41) CNR2BRD9GSK3BDYRK1APTGDR2
SCHEMBL18283999 0.76 CYP17A1 (0.39) ITGA4ITGB7CNR2BRD9GSK3B
SCHEMBL22322779 0.76 CNR2 (0.40) CNR2BRD9GSK3BDYRK1AMAPK14
SCHEMBL23009294 0.76 ATR (0.40) BRD9GSK3BDYRK1AMAPK14HDAC3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004094-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
WO-2004101571-A1 CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-11-25 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 (1 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-20050004094-A1 Cephem compounds CEP170, C1S, CEPT1 ITGA4 3612/4885ITGB7 2765/4885CNR2 236/4885

“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.