SCHEMBL10201372

SCHEMBL10201372

CC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.72
NPC1 O15118 6/20 0.72
EPHX2 P34913 1/20 0.71
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
MAPT P10636 3/20 0.68
ALDH1A1 P00352 2/20 0.68
GAA P10253 1/20 0.66
SMN1; SMN2 Q16637 3/20 0.65
TDP1 Q9NUW8 1/20 0.64
BCHE P06276 1/20 0.63
ACHE P22303 1/20 0.63
PRMT1 Q99873 1/20 0.62
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
TAAR1 Q96RJ0 1/20 0.62
HPGD P15428 1/20 0.61

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
SCHEMBL7097847 0.86 EPHX2 (0.76) RAB9ANPC1EPHX2MEN1KMT2A
SCHEMBL24935013 0.85 MEN1 (0.71) RAB9ANPC1EPHX2MEN1KMT2A
SCHEMBL1516167 0.84 EPHX2 (1.00) RAB9ANPC1EPHX2MEN1KMT2A
SCHEMBL27918532 0.83 EPHX2 (0.71) RAB9ANPC1EPHX2MEN1KMT2A
SCHEMBL257816 0.83 EPHX2 (0.76) RAB9ANPC1EPHX2MEN1KMT2A
SCHEMBL13544888 0.83 KMT2A (0.67) RAB9ANPC1EPHX2MEN1KMT2A
Hydrochloric Acid SCHEMBL27735879 0.82 EPHX2 (0.96) RAB9ANPC1EPHX2MEN1KMT2A
SCHEMBL675578 0.82 KMT2A (0.76) RAB9ANPC1EPHX2MEN1KMT2A
SCHEMBL8265643 0.81 TRPV1 (0.71) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL10163448 0.81 EPHX2 (0.73) RAB9ANPC1EPHX2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
CN-101559053-A 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-10-21 CN disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 EP disclosed
CN-100488506-C 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-05-20 CN disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 US disclosed
CN-1391474-A 5-membered heterocyclic derivatives, their preparation and their use as medicaments SOD CONSEILS RECH APPLIC (FR) 2003-01-15 CN 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 (3 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B RAB9A 3220/4885NPC1 948/4885EPHX2 1830/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B RAB9A 3220/4885NPC1 948/4885EPHX2 1830/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 RAB9A 3323/4885NPC1 963/4885EPHX2 1990/4885

“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.