SCHEMBL12401246

SCHEMBL12401246

CC(C)(C)C(=O)C(NC(=O)CCC1CCCCC1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ALPL P05186 1/20 0.41
ALOX15 P16050 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12401384 0.86 KMT2A (0.45) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL12401388 0.86 KMT2A (0.45) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL12401196 0.86 KMT2A (0.45) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL14943389 0.86 HPGD (0.50) HPGDNPC1RAB9AALDH1A1MEN1
SCHEMBL12401261 0.86 KMT2A (0.45) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL12401346 0.84 KMT2A (0.42) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL12467285 0.84 HPGD (0.47) HPGDNPC1RAB9AALDH1A1MEN1
SCHEMBL4341580 0.79 HPGD (0.59) HPGDNPC1RAB9AALDH1A1MEN1
SCHEMBL12404559 0.78 EPHX1 (0.47) NPC1RAB9AALDH1A1TSHR
SCHEMBL20857323 0.77 HPGD (0.56) HPGDNPC1RAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
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
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 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 (4 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 HPGD 1806/4885NPC1 252/4885RAB9A 2004/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 HPGD 1806/4885NPC1 252/4885RAB9A 2004/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 HPGD 1247/4885NPC1 622/4885RAB9A 3172/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HPGD 1824/4885NPC1 211/4885RAB9A 2014/4885

“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.