SCHEMBL4087862

SCHEMBL4087862

NC(=O)[C@H]1COCCN1C(=O)[CH]CO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PDK1 Q15118 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOB P27338 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
FKBP1A P62942 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
SCHEMBL4163105 1.00 CA12 (0.41) CA12CA1CA2CA9PDK1
SCHEMBL29540064 0.81 CA12 (0.40) CA12CA1CA2CA9KDM4E
SCHEMBL6052943 0.78 MAOB (0.40) MAOBFKBP1A
SCHEMBL28310283 0.78 CA12 (0.45) CA12CA1CA2CA9PDK1
SCHEMBL1150296 0.76 CA12 (0.44) CA12CA1CA2CA9PDK1
SCHEMBL29022309 0.76 CA12 (0.44) CA12CA1CA2CA9PDK1
SCHEMBL4140585 0.76 L3MBTL1 (0.37) CA12CA1CA2CA9KDM4E
SCHEMBL4145020 0.74 L3MBTL1 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL4156027 0.74 L3MBTL1 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL7995182 0.69 CA12 (0.39) CA12CA1CA2CA9KDM4E

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-1971333-A4 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-05-20 EP disclosed
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS LIANG CONGXIN 2009-03-12 US disclosed
US-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-30 US disclosed
EP-1971333-A2 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2008-09-24 EP disclosed
WO-2007081560-A2 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 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-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors PHKG1, MAP3K20, MKNK1 CA12 4861/4885CA1 4648/4885CA2 3895/4885
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS PHKG1, MAP3K20, MKNK1 CA12 4861/4885CA1 4648/4885CA2 3895/4885

“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.