SCHEMBL2595589

SCHEMBL2595589

CCCC[C@@H](C(=O)O)N(N=[N+]=[N-])C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSK P43235 14/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CTSS P25774 1/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL15876012 1.00 CA2 (0.35) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL19714607 0.87 CPB2 (0.35) MEN1GAAKMT2A
SCHEMBL16447368 0.86
SCHEMBL15880920 0.80
SCHEMBL31349728 0.79
SCHEMBL15880919 0.79
SCHEMBL29696200 0.76 CA2 (0.42) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL66398 0.76 CA2 (0.42) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL7761798 0.76 CA2 (0.42) CA2MAPK1CTSKSLC1A3SLC1A2
SCHEMBL66399 0.76 CA2 (0.42) CA2MAPK1CTSKSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014111545-A1 COMPOUNDS FOR FUNCTIONALIZING BIOMATERIALS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2014-07-24 WO disclosed
EP-2757098-A1 Compounds for Functionalizing Biomaterials Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) 2014-07-23 EP disclosed
US-8703907-B2 Controlled drug release from dendrimers PROLYNX LLC (US) 2014-04-22 US disclosed
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2013-05-16 US disclosed
EP-2571496-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS Prolynx Llc (US) 2013-03-27 EP disclosed
WO-2011140376-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2011-11-10 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-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS SLC43A1, SLC47A1, SLC47A2 CA2 1296/4885MAPK1 4704/4885CTSK 1973/4885

“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.