SCHEMBL12401346

SCHEMBL12401346

CC(C)(C)C(=O)C(NC(=O)CC1CCCC1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
EPHX1 P07099 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
EPHX2 P34913 4/20 0.40
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
MMP2 P08253 2/20 0.35
MMP3 P08254 1/20 0.35
BMP1 P13497 1/20 0.35

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
SCHEMBL12401261 0.98 KMT2A (0.45) KMT2AEPHX1HPGDNPC1RAB9A
SCHEMBL12401388 0.98 KMT2A (0.45) KMT2AEPHX1HPGDNPC1RAB9A
SCHEMBL12401384 0.98 KMT2A (0.45) KMT2AEPHX1HPGDNPC1RAB9A
SCHEMBL12401196 0.98 KMT2A (0.45) KMT2AEPHX1HPGDNPC1RAB9A
SCHEMBL12401381 0.88 CNR1 (0.31) KMT2AEPHX1HPGD
SCHEMBL12401209 0.86 CNR2 (0.41)
SCHEMBL14943373 0.85 KMT2A (0.43) KMT2AEPHX1HPGDNPC1RAB9A
SCHEMBL12571907 0.85 LMNA (0.30)
SCHEMBL12401246 0.84 HPGD (0.49) KMT2AHPGDNPC1RAB9ATDP1
SCHEMBL15219810 0.84 HPGD (0.46) KMT2AEPHX1HPGDNPC1RAB9A

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

“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.