SCHEMBL12330833

SCHEMBL12330833

CC(C)(C)C(=O)C(NC(=O)NCc1ccccc1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
MAPT P10636 1/20 0.54
ATM Q13315 2/20 0.51
ANPEP P15144 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
EPHX1 P07099 1/20 0.50
PTPN1 P18031 1/20 0.49
RIPK1 Q13546 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PPID Q08752 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL3526002 0.88 MAPT (0.56) L3MBTL1MAPTATMANPEPSMN1; SMN2
SCHEMBL15338744 0.87 L3MBTL1 (0.55) L3MBTL1MAPTATMANPEPSMN1; SMN2
SCHEMBL12413539 0.84 MAPK1 (0.57) L3MBTL1MAPTATMANPEPSMN1; SMN2
SCHEMBL12467295 0.84 MAPT (0.52) L3MBTL1MAPTATMANPEPSMN1; SMN2
SCHEMBL12401273 0.84 SMN1; SMN2 (0.54) L3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL12401159 0.84 ANPEP (0.56) ANPEPALDH1A1
SCHEMBL3528783 0.82 ANPEP (0.50) L3MBTL1MAPTATMANPEPSMN1; SMN2
SCHEMBL13881122 0.80 L3MBTL1 (0.48) L3MBTL1MAPTATMANPEPSMN1; SMN2
SCHEMBL12401203 0.79 MEN1 (0.54) ALDH1A1CYP3A4CYP2C19
SCHEMBL12412304 0.78 HSD17B10 (0.54) MAPTSMN1; SMN2EPHX1ALDH1A1

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 11 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
EP-2366704-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-21 EP 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
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO 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 L3MBTL1 3011/4885MAPT 2629/4885ATM 3140/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 L3MBTL1 3011/4885MAPT 2629/4885ATM 3140/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 L3MBTL1 1303/4885MAPT 3914/4885ATM 3497/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 L3MBTL1 3090/4885MAPT 2613/4885ATM 3658/4885

“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.