SCHEMBL12475555

SCHEMBL12475555

COC(=O)[C@H](CC=O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.35
CA14 Q9ULX7 3/20 0.33
CA12 O43570 2/20 0.33
HDAC6 Q9UBN7 2/20 0.32
DGAT1 O75907 1/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL12475550 1.00 CTSK (0.35) CTSKCA14CA12HDAC6DGAT1
SCHEMBL23610131 0.90 CTSK (0.33) CTSKHDAC6HDAC1HDAC2
SCHEMBL23610132 0.90 CTSK (0.33) CTSKHDAC6HDAC1HDAC2
SCHEMBL28381761 0.84 HDAC6 (0.33) CTSKCA14CA12HDAC6DGAT1
SCHEMBL16083949 0.84 HDAC6 (0.33) CTSKCA14CA12HDAC6DGAT1
SCHEMBL28265179 0.83 CTSK (0.33) CTSKHDAC6HDAC1HDAC2
SCHEMBL16982776 0.83 CTSK (0.33) CTSKHDAC6HDAC1HDAC2
SCHEMBL28660954 0.83 CTSK (0.33) CTSKHDAC6HDAC1HDAC2
SCHEMBL15406527 0.82 HDAC6 (0.32) CTSKCA14CA12HDAC6HDAC1
SCHEMBL15406529 0.82 HDAC6 (0.32) CTSKCA14CA12HDAC6HDAC1

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-9518088-B2 Peptide-phospholipid conjugates INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-12-13 US disclosed
US-20160333006-A1 ARYL LACTA KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-17 US disclosed
US-20160333006-A1 ARYL LACTA KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-17 US disclosed
US-20130345117-A1 PEPTIDE-PHOSPHOLIPID CONJUGATES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-12-26 US disclosed
EP-2616443-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012108990-A2 PEPTIDE-PHOSPHOLIPID CONJUGATES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2012-08-16 WO disclosed
WO-2012037132-A1 PHTALAZINE DERIVATIVES AS JAK1 INHIBITORS EXELIXIS, INC. (US) 2012-03-22 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-20160333006-A1 ARYL LACTA KINASE INHIBITORS AAK1, NCK1, ANKK1 CTSK 839/4885CA14 4640/4885CA12 4685/4885
US-20130345117-A1 PEPTIDE-PHOSPHOLIPID CONJUGATES LPAR3, SSTR3, NPY2R CTSK 1638/4885CA14 1684/4885CA12 593/4885

“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.