SCHEMBL13331674

SCHEMBL13331674

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 8/20 0.49
▸ CTSS P25774 6/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ CAPN1 P07384 1/20 0.43
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SIRT5 Q9NXA8 1/20 0.41
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ JAK3 P52333 1/20 0.39

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
SCHEMBL15627772 0.89 CTSK (0.47) CTSKCTSSMEN1GAAKMT2A
SCHEMBL25469335 0.88 MEN1 (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL29734569 0.88 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL23728734 0.88 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL23728735 0.88 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL25696029 0.88 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2367531 0.87 MEN1 (0.55) CTSKCTSSMEN1GAAKMT2A
SCHEMBL7364210 0.87 MEN1 (0.55) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1486276 0.87 MEN1 (0.55) CTSKCTSSMEN1GAAKMT2A
SCHEMBL12267031 0.87 MEN1 (0.48) CTSKCTSSMEN1GAAKMT2A

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-20100124543-A1 SULPHONAMIDE DERIVATIVES AS PRODRUGS OF ASPARTYL PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 — — US disclosed
US-7592368-B2 Sulphonamide derivatives as prodrugs of aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-22 — — 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-20100124543-A1 SULPHONAMIDE DERIVATIVES AS PRODRUGS OF ASPARTYL PROTEASE INHIBITORS PRSS1, TMPRSS15, SI CTSK 136/4885CTSS 30/4885MEN1 3767/4885

“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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