SCHEMBL17002536

SCHEMBL17002536

CNC(=O)CC(NC(=O)CNC(=O)C(CCCNC(=N)N)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.43
▸ CTSK P43235 7/20 0.43
▸ F10 P00742 1/20 0.41
▸ CAPN1 P07384 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ NPY4R P50391 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CXCR3 P49682 1/20 0.35
▸ PPARG P37231 1/20 0.35

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
SCHEMBL29711719 0.92 CTSS (0.45) CTSSCTSKF10CAPN1MEN1
SCHEMBL15627772 0.90 CTSK (0.47) CTSSCTSKF10CAPN1MEN1
SCHEMBL19788394 0.90 CTSK (0.41) CTSSCTSKF10CAPN1MEN1
SCHEMBL7106632 0.85 CAPN1 (0.56) CTSSCTSKCAPN1MEN1GAA
SCHEMBL19788373 0.85 CTSK (0.46) CTSSCTSKF10CAPN1MEN1
SCHEMBL29576686 0.83 MEN1 (0.52) CTSSCTSKCAPN1MEN1GAA
SCHEMBL29711843 0.83 CTSK (0.52) CTSSCTSKF10CAPN1MEN1
SCHEMBL23728735 0.82 CTSK (0.50) CTSSCTSKCAPN1MEN1GAA
SCHEMBL29734569 0.82 CTSK (0.50) CTSSCTSKCAPN1MEN1GAA
SCHEMBL23728734 0.82 CTSK (0.50) CTSSCTSKCAPN1MEN1GAA

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-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-06-30 — — US disclosed
US-20150224208-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-08-13 — — 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 (2 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-20160184459-A1 CANCER CELL SPECIFIC IMAGING PROBES AND METHODS OF USE OR10J3, CCR3, GPR3 CTSS 4685/4885CTSK 4641/4885F10 1670/4885
US-20150224208-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY NR4A3, ORC3, NTSR1 CTSS 3296/4885CTSK 3687/4885F10 2573/4885

“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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