SCHEMBL6038153

SCHEMBL6038153

C=CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)N(CC=C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.46
▸ CTSK P43235 3/20 0.46
▸ CTSB P07858 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ AKT1 P31749 1/20 0.45
▸ P4HB P07237 1/20 0.45
▸ PTPN1 P18031 4/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PTPRA P18433 1/20 0.43
▸ PSMB8 P28062 1/20 0.42
▸ PSMB9 P28065 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41

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
SCHEMBL5285879 0.85 CTSS (0.50) CTSSCTSKCTSBCTSLAKT1
SCHEMBL8259105 0.83 CTSS (0.50) CTSSCTSKCTSBCTSLAKT1
SCHEMBL13128261 0.80 CTSS (0.68) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6037917 0.79 IDO1 (0.50) CTSSCTSKCTSLAKT1
SCHEMBL12285382 0.76 PAX8 (0.51) CTSSCTSKCTSBCTSLAKT1
SCHEMBL1020939 0.76 MEN1 (0.51) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2442760 0.75 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2444606 0.74 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2405030 0.74 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2447627 0.74 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 — — 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 CTSS 2338/4885CTSK 2409/4885CTSB 1901/4885

“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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