SCHEMBL12401196

SCHEMBL12401196

CC(C)(C)C(=O)C(NC(=O)CC1CCCCC1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
HPGD P15428 2/20 0.45
EPHX1 P07099 1/20 0.45
EPHX2 P34913 4/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
BMP1 P13497 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
P2RX7 Q99572 1/20 0.37

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
SCHEMBL12401388 1.00 KMT2A (0.45) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL12401261 1.00 KMT2A (0.45) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL12401384 1.00 KMT2A (0.45) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL12401346 0.98 KMT2A (0.42) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL12401381 0.86 CNR1 (0.31) KMT2AHPGDEPHX1
SCHEMBL12401246 0.86 HPGD (0.49) KMT2AHPGDNPC1RAB9AMEN1
SCHEMBL12330772 0.86 HPGD (0.46) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL14943219 0.86 HPGD (0.46) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL15219810 0.86 HPGD (0.46) KMT2AHPGDEPHX1EPHX2NPC1
SCHEMBL15219741 0.86 HPGD (0.46) KMT2AHPGDEPHX1EPHX2NPC1

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 KMT2A 3222/4885HPGD 1806/4885EPHX1 1666/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 KMT2A 3222/4885HPGD 1806/4885EPHX1 1666/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 KMT2A 3161/4885HPGD 1247/4885EPHX1 924/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 KMT2A 2779/4885HPGD 1824/4885EPHX1 1623/4885

“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.