SCHEMBL10042565

SCHEMBL10042565

CCOC(=O)CN(CC(=O)OCC)C(=O)CCCN(C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ALOX5 P09917 1/20 0.35
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP1A2 P05177 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL14822004 0.87 CYP1A2 (0.44) CA12CA1CA2CA9HDAC6
SCHEMBL10042494 0.84 HDAC6 (0.41) HDAC6HDAC1HDAC2CA14LMNA
SCHEMBL5655019 0.81 HDAC1 (0.44) CA12CA1CA2CA9HDAC6
SCHEMBL499027 0.81 SMN1; SMN2 (0.40) CA12CA1CA2CA9HDAC6
SCHEMBL5001089 0.80 CA12 (0.55) CA12CA1CA2CA9HDAC6
SCHEMBL7456183 0.80 CA14 (0.40) CA12CA1CA2CA9HDAC6
SCHEMBL9227134 0.79 HDAC6 (0.46) HDAC6HDAC1HDAC2CA14TRPV4
SCHEMBL18758783 0.78 CA12 (0.43) CA12CA1CA2CA9HDAC6
SCHEMBL10042493 0.78 HDAC1 (0.35) HDAC6HDAC1HDAC2
SCHEMBL15312506 0.78 SMN1; SMN2 (0.38) CA12CA1CA2CA9HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules AFFYMAX, INC. (US) 2012-06-28 US disclosed
US-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules AFFYMAX, INC. (US) 2012-06-28 US disclosed
US-8106154-B2 Nitrogen-based linkers for attaching modifying groups to polypeptides and other macromolecules AFFYMAX, INC. (US) 2012-01-31 US disclosed
US-8106154-B2 Nitrogen-based linkers for attaching modifying groups to polypeptides and other macromolecules AFFYMAX, INC. (US) 2012-01-31 US disclosed
US-20090048147-A1 NITROGEN-BASED LINKERS FOR ATTACHING MODIFYING GROUPS TO POLYPEPTIDES AND OTHER MACROMOLECULES AFFYMAX, INC. (US) 2009-02-19 US disclosed
US-20090048147-A1 NITROGEN-BASED LINKERS FOR ATTACHING MODIFYING GROUPS TO POLYPEPTIDES AND OTHER MACROMOLECULES AFFYMAX, INC. (US) 2009-02-19 US disclosed
WO-2008095004-A2 NITROGEN-BASED LINKERS FOR ATTACHING MODIFYING GROUPS TO POLYPEPTIDES AND OTHER MACROMOLECULES AFFYMAX, INC. (US) 2008-08-07 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 (2 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-20120165275-A1 Nitrogen-Based Linkers for Attaching Modifying Groups to Polypeptides and Other Macromolecules DNPEP, NGLY1, LNPEP CA12 1276/4885CA1 1155/4885CA2 4362/4885
US-20090048147-A1 NITROGEN-BASED LINKERS FOR ATTACHING MODIFYING GROUPS TO POLYPEPTIDES AND OTHER MACROMOLECULES NGLY1, YWHAZ, HBZ CA12 1703/4885CA1 1871/4885CA2 4080/4885

“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.