SCHEMBL13701263

SCHEMBL13701263

CNCCN(C)C(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.54
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
SYK P43405 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
SIRT1 Q96EB6 1/20 0.48
FOLH1 Q04609 1/20 0.48

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
SCHEMBL18942773 0.87 MAPT (0.64) MAPTKLK7KLK5ITGB3ITGA2B
SCHEMBL5800857 0.86 JAK3 (0.59) MAPTKLK7KLK5SYKITGB3
SCHEMBL14636351 0.85 CTSK (0.56) MAPTKLK7KLK5MEN1KMT2A
SCHEMBL2467817 0.84 FOLH1 (0.65) MAPTKLK7KLK5SYKITGB3
SCHEMBL1491720 0.84 FOLH1 (0.65) MAPTKLK7KLK5SYKITGB3
SCHEMBL699636 0.84 FOLH1 (0.65) MAPTKLK7KLK5SYKITGB3
SCHEMBL27497192 0.84 KLK7 (0.63) MAPTKLK7KLK5SYKMEN1
SCHEMBL30544856 0.84 KLK7 (0.63) MAPTKLK7KLK5SYKMEN1
SCHEMBL30043940 0.83 SIRT2 (0.64) MAPTKLK7KLK5SYKMEN1
SCHEMBL5328141 0.83 SIRT2 (0.66) MAPTKLK7KLK5SYKITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227795-A1 TARGET MOLECULES OF PLADIENOLIDES, COMPOUNDS BINDING TO SUCH TARGET MOLECULES, AND SCREENING METHOD THEREOF EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227795-A1 TARGET MOLECULES OF PLADIENOLIDES, COMPOUNDS BINDING TO SUCH TARGET MOLECULES, AND SCREENING METHOD THEREOF EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
EP-2053393-A1 PLADIENOLIDE TARGET MOLECULE, COMPOUND CAPABLE OF BINDING TO THE TARGET MOLECULE, AND SCREENING METHOD FOR THE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-04-29 EP 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-20090227795-A1 TARGET MOLECULES OF PLADIENOLIDES, COMPOUNDS BINDING TO SUCH TARGET MOLECULES, AND SCREENING METHOD THEREOF SF3B3, SF3B2, SF3B1 MAPT 4196/4885KLK7 2140/4885KLK5 3099/4885

“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.