SCHEMBL17133699

SCHEMBL17133699

Cc1cccc(CNC(=O)C(CCCCN)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.50
▸ CTSS P25774 8/20 0.49
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ CTSB P07858 3/20 0.46
▸ CTSL P07711 2/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ SIRT5 Q9NXA8 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
SCHEMBL17537321 1.00 CTSK (0.50) CTSKCTSSCA1CA2HDAC4
SCHEMBL17537319 0.91 CTSK (0.51) CTSKCTSSCA1CA2HDAC4
SCHEMBL17133625 0.91 CTSK (0.51) CTSKCTSSCA1CA2HDAC4
SCHEMBL17133630 0.89 CTSK (0.59) CTSKCTSSCA1CA2HDAC4
SCHEMBL17133715 0.89 CTSK (0.60) CTSKCTSSCA1CA2HDAC4
SCHEMBL15083612 0.88 CTSK (0.63) CTSKCTSSCA1CA2HDAC4
SCHEMBL17133720 0.88 CTSK (0.63) CTSKCTSSCA1CA2HDAC4
SCHEMBL17133689 0.87 CA2 (0.56) CTSKCTSSCA1CA2CTSB
SCHEMBL17537317 0.87 CA2 (0.56) CTSKCTSSCA1CA2CTSB
SCHEMBL17133685 0.87 CTSK (0.48) CTSKCTSSCA1CA2HDAC4

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 2069/4885CA1 3293/4885

“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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