SCHEMBL3117516

SCHEMBL3117516

Cn1ncc(NC(=O)[C@H](CCCCNC(=O)O)NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.40
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
TDP1 Q9NUW8 6/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 5/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
KMT2A Q03164 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL3117506 1.00 SIRT5 (0.40) SIRT5CA1CA2TDP1HDAC4
SCHEMBL3123178 0.98 SIRT5 (0.37) SIRT5CA1CA2TDP1HDAC4
SCHEMBL3227645 0.98 SIRT5 (0.37) SIRT5CA1CA2TDP1HDAC4
SCHEMBL3227631 0.98 SIRT5 (0.37) SIRT5CA1CA2TDP1HDAC4
SCHEMBL3123164 0.98 SIRT5 (0.37) SIRT5CA1CA2TDP1HDAC4
SCHEMBL3122762 0.85 SIRT5 (0.38) SIRT5CA1CA2TDP1HDAC4
SCHEMBL3122773 0.85 SIRT5 (0.38) SIRT5CA1CA2TDP1HDAC4
SCHEMBL3105961 0.84 SIRT5 (0.45) SIRT5CA1CA2TDP1HDAC4
SCHEMBL3109532 0.83 HDAC4 (0.35) SIRT5CA1CA2TDP1HDAC4
SCHEMBL3109524 0.83 HDAC4 (0.35) SIRT5CA1CA2TDP1HDAC4

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 5 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
EP-1663245-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2006-06-07 EP disclosed
US-20050096306-A1 Cephem compounds FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-05-05 US disclosed
WO-2005027909-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2005-03-31 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-20050096306-A1 Cephem compounds CEP170, ASS1, C1S SIRT5 2197/4885CA1 3359/4885CA2 1228/4885

“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.