SCHEMBL12401096

SCHEMBL12401096

CC(OC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
LPAR1 Q92633 3/20 0.43
LPAR3 Q9UBY5 2/20 0.43
HCAR2 Q8TDS4 1/20 0.43
CTSK P43235 4/20 0.40
OPRM1 P35372 3/20 0.39
TACR3 P29371 1/20 0.39
NAAA Q02083 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38

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
SCHEMBL16328283 0.83 HTT (0.44) HTTLPAR1LPAR3HCAR2CTSK
SCHEMBL10125211 0.78 HCAR2 (0.53) HTTLPAR1LPAR3HCAR2CTSK
SCHEMBL10125207 0.78 HCAR2 (0.53) HTTLPAR1LPAR3HCAR2CTSK
SCHEMBL15912310 0.78 HCAR2 (0.53) HTTLPAR1LPAR3HCAR2CTSK
SCHEMBL12404553 0.77 HSD17B10 (0.58) HTTHSD17B10
SCHEMBL12412301 0.76 HTT (0.38) HTTCTSK
SCHEMBL9829311 0.75 HCAR2 (0.50) HTTLPAR1LPAR3HCAR2CTSK
SCHEMBL9829305 0.75 HCAR2 (0.50) HTTLPAR1LPAR3HCAR2CTSK
SCHEMBL17465167 0.75 HCAR2 (0.50) HTTLPAR1LPAR3HCAR2OPRM1
SCHEMBL27666225 0.75 HCAR2 (0.50) HTTLPAR1LPAR3HCAR2OPRM1

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-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

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 HTT 3200/4885LPAR1 3998/4885LPAR3 4084/4885

“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.