SCHEMBL12401726

SCHEMBL12401726

CCCC(NC(C)(C)C)C(=O)C(=O)NCCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.41
CYP3A4 P08684 5/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NAMPT P43490 1/20 0.40
GPR132 Q9UNW8 3/20 0.40
TBXAS1 P24557 1/20 0.40

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
SCHEMBL16317048 0.89 CTSK (0.57) CTSKKMT2APKML3MBTL1
SCHEMBL14943749 0.87 CTSK (0.48) CTSKHDAC2HDAC8HDAC6KMT2A
SCHEMBL14094829 0.83 CTSK (0.47) CTSKHDAC2HDAC8HDAC6KMT2A
SCHEMBL8139414 0.81 HDAC8 (0.49) CTSKHDAC2HDAC8HDAC6KMT2A
SCHEMBL12401725 0.76 RAB9A (0.57) CTSKRAB9ASMN1; SMN2CYP3A4L3MBTL1
SCHEMBL25784651 0.76 HDAC2 (0.61) HDAC2HDAC8HDAC6KMT2AMEN1
SCHEMBL12401673 0.76 CTSK (0.59) CTSKKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL14943570 0.75 CTSK (0.60) CTSKKMT2ASMN1; SMN2PKML3MBTL1
SCHEMBL12401720 0.75 CTSK (0.39) CTSKNPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL12401688 0.73 HPGD (0.50) KMT2ANPC1RAB9A

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 CTSK 217/4885HDAC2 1670/4885HDAC8 1650/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 CTSK 217/4885HDAC2 1670/4885HDAC8 1650/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 CTSK 109/4885HDAC2 2287/4885HDAC8 1439/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CTSK 240/4885HDAC2 1503/4885HDAC8 1816/4885

“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.