SCHEMBL3107463

SCHEMBL3107463

Cn1ncc(NC(=O)[C@H](CCCNC(=O)O)NC(=O)CNC(=O)OC(C)(C)C)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
SIRT5 Q9NXA8 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
RORC P51449 1/20 0.35

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
SCHEMBL3121435 0.93 SIRT5 (0.40) CA1CA2HDAC4HDAC1MMP1
SCHEMBL3107514 0.91 SIRT5 (0.42) CA1CA2HDAC4HDAC1SIRT5
SCHEMBL3119174 0.87 NTRK1 (0.35) SIRT5
SCHEMBL3121409 0.86 CTSS (0.37) CA1CA2HDAC4HDAC1MMP1
SCHEMBL3109524 0.86 HDAC4 (0.35) CA1CA2HDAC4HDAC1MMP1
SCHEMBL3109532 0.86 HDAC4 (0.35) CA1CA2HDAC4HDAC1MMP1
SCHEMBL3119231 0.84 SIRT1 (0.37) SIRT5
SCHEMBL3122762 0.84 SIRT5 (0.38) CA1CA2HDAC4HDAC1SIRT5
SCHEMBL3122773 0.84 SIRT5 (0.38) CA1CA2HDAC4HDAC1SIRT5
SCHEMBL5496197 0.83 SIGMAR1 (0.38) HDAC1RORCMEN1KMT2AACACB

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 CA1 3359/4885CA2 1228/4885HDAC4 4580/4885

“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.