SCHEMBL17133683

SCHEMBL17133683

CC(C)(C)OC(=O)NC(CCCCN)C(=O)NCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.56
▸ CA1 P00915 5/20 0.56
▸ CTSK P43235 8/20 0.50
▸ CTSS P25774 8/20 0.47
▸ CPB2 Q96IY4 1/20 0.44
▸ TLR2 O60603 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43

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
SCHEMBL17133668 0.90 CA2 (0.54) CA2CA1CTSKCTSSCTSL
SCHEMBL17537317 0.90 CA2 (0.56) CA2CA1CTSKCTSSCPB2
SCHEMBL17133689 0.90 CA2 (0.56) CA2CA1CTSKCTSSCPB2
SCHEMBL17537318 0.89 CTSK (0.56) CA2CA1CTSKCTSSCPB2
SCHEMBL17133652 0.89 CTSK (0.56) CA2CA1CTSKCTSSCPB2
SCHEMBL15083612 0.89 CTSK (0.63) CA2CA1CTSKCTSSTLR2
SCHEMBL17133720 0.89 CTSK (0.63) CA2CA1CTSKCTSSTLR2
SCHEMBL17133688 0.88 CTSK (0.58) CA2CA1CTSKCTSSTLR2
SCHEMBL29301814 0.87 CA2 (0.56) CA2CA1CTSKCTSSCPB2
SCHEMBL17133699 0.82 CTSK (0.50) CA2CA1CTSKCTSSCTSL

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 CA2 2062/4885CA1 3293/4885CTSK 2479/4885

“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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