SCHEMBL12401227

SCHEMBL12401227

Cc1ccccc1CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
MAPK8 P45983 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AKR1B1 P15121 1/20 0.40
CTBP2 P56545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL14943554 0.87 NPC1 (0.44) NPC1MAPK8ANO1KMT2AMEN1
SCHEMBL15338750 0.86 NPC1 (0.43) NPC1MAPK8ANO1KMT2AMEN1
SCHEMBL12481347 0.84 NPC1 (0.42) NPC1MAPK8ANO1KMT2AMEN1
SCHEMBL12401247 0.81 ANO1 (0.38) ANO1KMT2AMEN1HPGDALDH1A1
SCHEMBL12401203 0.81 MEN1 (0.54) KMT2AMEN1HPGDALDH1A1POLB
SCHEMBL3668726 0.77 MEN1 (0.50) NPC1MAPK8KMT2AMEN1HPGD
SCHEMBL12401217 0.73 P2RX7 (0.48) KMT2AMEN1ALDH1A1TDP1
SCHEMBL11550242 0.73 MAPK8 (0.54) NPC1MAPK8ANO1KMT2AMEN1
SCHEMBL5285749 0.73 ALDH1A1 (0.49) NPC1MAPK8KMT2AMEN1HPGD
SCHEMBL5966846 0.73 ALDH1A1 (0.49) NPC1MAPK8KMT2AMEN1HPGD

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 NPC1 252/4885MAPK8 2243/4885ANO1 3142/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 NPC1 252/4885MAPK8 2243/4885ANO1 3142/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 NPC1 622/4885MAPK8 3519/4885ANO1 4451/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 NPC1 211/4885MAPK8 2405/4885ANO1 3305/4885

“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.