SCHEMBL16328232

SCHEMBL16328232

CCC(=O)C(NC(=O)OCC1CCCCC1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.38
LMNA P02545 1/20 0.38
PSMB5 P28074 1/20 0.36
METAP2 P50579 1/20 0.35
CTSS P25774 1/20 0.35
MGLL Q99685 2/20 0.34
CASP1 P29466 1/20 0.34
EPHX1 P07099 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33

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
SCHEMBL12467552 0.96 CTSK (0.34) CTSKLMNAPSMB5METAP2CTSS
SCHEMBL14943361 0.84 CTSK (0.38) CTSKLMNAPSMB5CTSSMGLL
SCHEMBL12401173 0.83 CTSK (0.37) CTSKLMNAPSMB5CTSSMGLL
SCHEMBL12486464 0.83 HDAC3 (0.38) HDAC3HDAC1HDAC2CNR1CNR2
SCHEMBL12401107 0.82 CTSK (0.38) CTSKLMNAPSMB5METAP2CTSS
SCHEMBL8241710 0.81 CTSK (0.35) CTSKLMNAPSMB5CTSSMGLL
SCHEMBL12636348 0.81 LMNA (0.41) LMNAHDAC3HDAC1HDAC2CNR1
SCHEMBL12467540 0.80 EPHX1 (0.51) EPHX1HDAC1
SCHEMBL12401303 0.80 HDAC3 (0.35) CTSKLMNAMGLLHDAC3HDAC1
SCHEMBL12467539 0.80 EPHX1 (0.51) EPHX1HDAC1

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-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885LMNA 2850/4885PSMB5 664/4885

“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.