SCHEMBL3106076

SCHEMBL3106076

Cn1ncc(NC(=O)NC(C(=O)NCCNC(=O)OC(C)(C)C)C(=O)NCCNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.37
BCHE P06276 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
IDO1 P14902 1/20 0.36
GPR88 Q9GZN0 1/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 1/20 0.34
NTRK1 P04629 2/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPK1 P28482 2/20 0.33
CYP3A4 P08684 2/20 0.33
SCN9A Q15858 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
SCHEMBL5492718 0.91 BCHE (0.40) BCHEMALT1IDO1NTRK1CKS1B
SCHEMBL6427256 0.85 BCHE (0.35) AKT1BCHEMALT1IDO1CKS1B
SCHEMBL3121409 0.84 CTSS (0.37) AKT1CTSSCTSKCKS1BSKP1
SCHEMBL20262161 0.84 LPAR1 (0.37) AKT1CTSSCTSKMAPK1SCN9A
SCHEMBL5500423 0.83 IDO1 (0.44) BCHEMALT1IDO1CKS1BSKP1
SCHEMBL27620815 0.83 CYP3A4 (0.44) DRD2SIGMAR1CYP3A4
SCHEMBL27661812 0.83 SIGMAR1 (0.39) BCHEIDO1CKS1BSKP1SKP2
SCHEMBL5496197 0.82 SIGMAR1 (0.38) BCHECKS1BSKP1SKP2SIGMAR1
SCHEMBL27641150 0.82 BCHE (0.36) BCHEIDO1CKS1BSKP1SKP2
SCHEMBL3113414 0.81 AKT1 (0.35) AKT1CTSSCTSKCKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663245-B1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC (JP) 2010-04-07 EP disclosed
US-7192943-B2 Cephem compounds ASTELLAS PHARMA INC. (JP) 2007-03-20 US disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 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 (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-20050096306-A1 Cephem compounds CEP170, ASS1, C1S AKT1 1575/4885BCHE 489/4885MALT1 4839/4885

“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.