SCHEMBL17531098

SCHEMBL17531098

CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.74
▸ CTSS P25774 4/20 0.60
▸ CTSL P07711 1/20 0.57
▸ CTSB P07858 1/20 0.57

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
SCHEMBL22236516 0.92 CTSK (0.68) CTSKCTSSCTSLCTSB
SCHEMBL17133745 0.91 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL17146997 0.91 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL17133720 0.90 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL15083612 0.90 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL18546494 0.87 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL18546605 0.87 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL25884513 0.87 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL26087282 0.86 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL23218022 0.86 CTSS (0.63) CTSKCTSSCTSLCTSB

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 2 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

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 2069/4885CTSL 3512/4885

“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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