SCHEMBL264904

SCHEMBL264904

CCCC(=O)N(CC(=O)OCC)CC(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 7/20 0.43
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 1/20 0.42
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
SOAT1 P35610 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL10738938 0.88 ALDH1A1 (0.48) CA12CA1CA2CA9GAA
SCHEMBL10740700 0.87 LMNA (0.48) CA12CA1CA2CA9GAA
SCHEMBL10743398 0.84 DGKA (0.50) GAAALDH1A1LMNAMAPTCES2
SCHEMBL10042520 0.82 GAA (0.50) CA12CA1CA2CA9GAA
SCHEMBL10050087 0.81 LMNA (0.44) CA12CA1CA2CA9GAA
SCHEMBL2840377 0.81 CA12 (0.60) CA12CA1CA2CA9GAA
SCHEMBL14819938 0.79 LMNA (0.42) ALDH1A1LMNAHPGDCES2CES1
SCHEMBL4690633 0.77 GAA (0.50) CA12CA1CA2CA9GAA
SCHEMBL14088914 0.77 GAA (0.50) CA12CA1CA2CA9GAA
SCHEMBL196815 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729030-B2 Peptides that bind to the erythropoietin receptor AFFYMAX, INC. (US) 2014-05-20 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-8629126-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC. (JP) 2014-01-14 US disclosed
US-20130079283-A1 Erythropoitein Receptor Peptide Formulations and Uses AFFYMAX, INC. (US) 2013-03-28 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2012-05-31 US disclosed
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
US-20110245176-A1 NOVEL PEPTIDES THAT BIND TO THE ERYTHROPOIETIN RECEPTOR AFFYMAX, INC. (US) 2011-10-06 US disclosed
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-08-06 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 (5 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-20120136025-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY10, P2RY12, P2RY11 CA12 3007/4885CA1 4618/4885CA2 1044/4885
US-20110245176-A1 NOVEL PEPTIDES THAT BIND TO THE ERYTHROPOIETIN RECEPTOR EPOR, PROKR1, EDNRB CA12 4226/4885CA1 4836/4885CA2 4587/4885
US-20130079283-A1 Erythropoitein Receptor Peptide Formulations and Uses EPOR, MPL, PROKR1 CA12 3745/4885CA1 4748/4885CA2 3890/4885
US-20090197834-A1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF P2RY12, P2RY11, P2RY10 CA12 2887/4885CA1 4324/4885CA2 595/4885

“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.