SCHEMBL12401085

SCHEMBL12401085

C=C(C)C(NC(=O)OC1CCOC1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.35
CTSS P25774 2/20 0.35
MAPK1 P28482 2/20 0.33
MLNR O43193 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
CTSD P07339 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33
CNR1 P21554 1/20 0.33
TBXAS1 P24557 1/20 0.33
ADRA1A P35348 1/20 0.33
PDE4D Q08499 1/20 0.33
ACACB O00763 3/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL8128957 0.89 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL13757740 0.86 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL627444 0.86 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL627445 0.86 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL4259670 0.86 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL10137338 0.86 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL15338646 0.85 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL12401299 0.85 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL8141649 0.84 CTSL (0.37) CTSLCTSSMAPK1MLNRABCB11
SCHEMBL12574063 0.83 CTSL (0.36) CTSLCTSSMAPK1MLNRABCB11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 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-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 CTSL 69/4885CTSS 67/4885MAPK1 971/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSL 63/4885CTSS 77/4885MAPK1 1199/4885

“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.