SCHEMBL17133652

SCHEMBL17133652

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.56
▸ CTSS P25774 7/20 0.56
▸ CA2 P00918 5/20 0.56
▸ CA1 P00915 4/20 0.56
▸ POLB P06746 1/20 0.49
▸ TLR2 O60603 2/20 0.48
▸ CPB2 Q96IY4 1/20 0.44

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
SCHEMBL17537318 1.00 CTSK (0.56) CTSKCTSSCA2CA1POLB
SCHEMBL17537317 0.90 CA2 (0.56) CTSKCTSSCA2CA1CPB2
SCHEMBL17133654 0.90 CTSK (0.57) CTSKCTSSCA2CA1POLB
SCHEMBL17133689 0.90 CA2 (0.56) CTSKCTSSCA2CA1CPB2
SCHEMBL17133683 0.89 CA2 (0.56) CTSKCTSSCA2CA1TLR2
SCHEMBL15083612 0.89 CTSK (0.63) CTSKCTSSCA2CA1TLR2
SCHEMBL17133720 0.89 CTSK (0.63) CTSKCTSSCA2CA1TLR2
SCHEMBL17133688 0.88 CTSK (0.58) CTSKCTSSCA2CA1TLR2
SCHEMBL17133630 0.88 CTSK (0.59) CTSKCTSSCA2CA1
SCHEMBL29301814 0.87 CA2 (0.56) CTSKCTSSCA2CA1CPB2

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 CTSK 2479/4885CTSS 2069/4885CA2 2062/4885

“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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