SCHEMBL17133633

SCHEMBL17133633

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.58
▸ KLK7 P49862 2/20 0.58
▸ KLK5 Q9Y337 2/20 0.58
▸ TGM2 P21980 1/20 0.57
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ PSMB8 P28062 1/20 0.54
▸ PSMB9 P28065 1/20 0.54
▸ PSMB5 P28074 1/20 0.54
▸ CPB1 P15086 1/20 0.54
▸ CPB2 Q96IY4 1/20 0.54
▸ ITGB3 P05106 1/20 0.53
▸ ITGA2B P08514 1/20 0.53
▸ CTSK P43235 1/20 0.52
▸ FOLH1 Q04609 1/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ SIRT3 Q9NTG7 1/20 0.50

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
SCHEMBL17133648 0.94 MAPT (0.64) MAPTKLK7KLK5CA1CA2
SCHEMBL17133741 0.93 MAPT (0.60) MAPTKLK7KLK5CA1CA2
SCHEMBL17133659 0.92 MAPT (0.59) MAPTKLK7KLK5TGM2CA1
SCHEMBL16124431 0.92 MAPT (0.60) MAPTKLK7KLK5CA1CA2
SCHEMBL17133666 0.91 MAPT (0.58) MAPTKLK7KLK5TGM2CA1
SCHEMBL30902907 0.90 MAPT (0.65) MAPTKLK7KLK5CPB1CPB2
SCHEMBL23420126 0.88 MAPT (0.63) MAPTKLK7KLK5CPB1CPB2
SCHEMBL30902797 0.88 MAPT (0.62) MAPTKLK7KLK5CPB1CPB2
SCHEMBL12148814 0.88 MAPT (0.62) MAPTKLK7KLK5CPB1CPB2
SCHEMBL17133687 0.87 MAPT (0.58) MAPTKLK7KLK5CA1CA2

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-9388123-B2 LSD1-selective inhibitor having lysine structure KYOTO UNIVERSITY (JP) 2016-07-12 — — US disclosed
US-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KYOTO UNIVERSITY (JP) 2016-02-11 — — US disclosed
EP-2927212-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE Kyoto University (JP) 2015-10-07 — — 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-20160039748-A1 LSD1-SELECTIVE INHIBITOR HAVING LYSINE STRUCTURE KDM1A, DOT1L, KDM1B MAPT 734/4885KLK7 2186/4885KLK5 1221/4885

“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.

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