SCHEMBL15627772

SCHEMBL15627772

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.47
▸ CTSS P25774 7/20 0.47
▸ CAPN1 P07384 1/20 0.44
▸ F10 P00742 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CA2 P00918 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38

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
SCHEMBL17002536 0.90 CTSS (0.43) CTSKCTSSCAPN1F10MEN1
SCHEMBL19788373 0.90 CTSK (0.46) CTSKCTSSCAPN1F10MEN1
SCHEMBL13331674 0.89 CTSK (0.49) CTSKCTSSCAPN1MEN1GAA
SCHEMBL29711843 0.88 CTSK (0.52) CTSKCTSSCAPN1F10MEN1
SCHEMBL29711719 0.85 CTSS (0.45) CTSKCTSSCAPN1F10MEN1
SCHEMBL25469335 0.83 MEN1 (0.49) CTSKCTSSCAPN1MEN1GAA
SCHEMBL23728734 0.82 CTSK (0.50) CTSKCTSSCAPN1MEN1GAA
SCHEMBL29734569 0.82 CTSK (0.50) CTSKCTSSCAPN1MEN1GAA
SCHEMBL23728735 0.82 CTSK (0.50) CTSKCTSSCAPN1MEN1GAA
SCHEMBL25696029 0.82 CTSK (0.50) CTSKCTSSCAPN1MEN1GAA

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-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
WO-2014047199-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-03-27 — — WO 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 CTSK 4641/4885CTSS 4685/4885CAPN1 4622/4885
US-20150224208-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY NR4A3, ORC3, NTSR1 CTSK 3687/4885CTSS 3296/4885CAPN1 3663/4885

“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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