SCHEMBL7540139

SCHEMBL7540139

CC(C)(C)OC(=O)N[C@H]1CCN(CC#N)C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PRSS1 P07477 1/20 0.45
GAA P10253 1/20 0.43
KCNA3 P22001 1/20 0.42
FPR2 P25090 1/20 0.41
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSS P25774 3/20 0.38
CTSD P07339 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
DRD2 P14416 1/20 0.37
DPP4 P27487 1/20 0.36

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
SCHEMBL30877523 1.00 CTSK (0.47) CTSKF2F10PRSS1GAA
SCHEMBL24263439 0.92 F2 (0.53) CTSKF2F10PRSS1GAA
SCHEMBL16162636 0.90 F2 (0.45) CTSKF2F10PRSS1GAA
SCHEMBL7219979 0.88 F2 (0.45) CTSKF2F10PRSS1GAA
SCHEMBL10264999 0.85 F2 (0.47) CTSKF2F10PRSS1GAA
SCHEMBL8081478 0.83 F2 (0.51) CTSKF2F10PRSS1GAA
SCHEMBL4760690 0.83 F2 (0.46) CTSKF2F10PRSS1GAA
SCHEMBL13259959 0.83 F2 (0.51) CTSKF2F10PRSS1GAA
SCHEMBL7292123 0.83 F2 (0.51) CTSKF2F10PRSS1GAA
SCHEMBL4760677 0.82 F2 (0.55) CTSKF2F10PRSS1GAA

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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 CTSK 281/4885F2 11/4885F10 20/4885

“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.