SCHEMBL12467384

SCHEMBL12467384

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.37
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
ASAH1 Q13510 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MMP3 P08254 7/20 0.32
MMP1 P03956 5/20 0.32
MMP9 P14780 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP2 P08253 5/20 0.30
MMP7 P09237 1/20 0.30
PDF Q9HBH1 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL12462670 0.81 ADAM17 (0.36) ALDH1A1MAPTMMP3MMP1MMP9
SCHEMBL14865101 0.78 CA1 (0.33) MMP3MMP1MMP9CYP2D6
SCHEMBL12175008 0.78 CA1 (0.33) MMP3MMP1MMP9CYP2D6
SCHEMBL18675249 0.77 CNR2 (0.38) CNR2POLBMAPK1ASAH1ALDH1A1
SCHEMBL12481781 0.76 MMP1 (0.33) MAPTMMP3MMP1MMP9CYP1A2
SCHEMBL12482473 0.76 TRPA1 (0.36) POLBALDH1A1MAPTMMP3MMP1
SCHEMBL12482098 0.76 ALDH1A1 (0.42) MAPK1ALDH1A1MMP3MMP1MMP9
SCHEMBL12468401 0.76 MMP1 (0.33) MAPTMMP3MMP1MMP9CYP1A2
SCHEMBL14952312 0.76 MMP3 (0.34) MMP3MMP1MMP9MMP2MMP7
SCHEMBL12401321 0.76 L3MBTL1 (0.38) CNR2POLBMAPK1ALDH1A1MAPT

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 CNR2 4814/4885POLB 4161/4885MAPK1 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.