SCHEMBL12401273

SCHEMBL12401273

CC(C)(C)C(=O)C(NC(=O)NCc1cccnc1)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.54
FES P07332 1/20 0.53
RET P07949 1/20 0.53
MARK3 P27448 1/20 0.53
TYK2 P29597 1/20 0.53
FLT4 P35916 1/20 0.53
SYK P43405 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
KMT2A Q03164 5/20 0.52
PKM P14618 1/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.51

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
SCHEMBL16330242 0.89 ALDH1A1 (0.55) SMN1; SMN2L3MBTL1POLBALDH1A1FES
SCHEMBL15219756 0.88 ALDH1A1 (0.54) SMN1; SMN2L3MBTL1POLBALDH1A1FES
SCHEMBL12467373 0.86 ALDH1A1 (0.56) SMN1; SMN2L3MBTL1POLBALDH1A1FES
SCHEMBL8145692 0.86 ALDH1A1 (0.58) SMN1; SMN2L3MBTL1POLBALDH1A1FES
SCHEMBL12330833 0.84 L3MBTL1 (0.54) SMN1; SMN2L3MBTL1ALDH1A1MAPT
SCHEMBL12401390 0.82 CYP1A2 (0.57) ALDH1A1KMT2APKMLMNAMAPT
SCHEMBL12401076 0.82 CYP1A2 (0.57) ALDH1A1KMT2APKMLMNAMAPT
SCHEMBL24568673 0.80 ALDH1A1 (0.62) SMN1; SMN2L3MBTL1POLBALDH1A1FES
SCHEMBL12401232 0.80 CYP1A2 (0.49) POLBALDH1A1MAPT
SCHEMBL12401164 0.79 RAB9A (0.54) SMN1; SMN2L3MBTL1POLBALDH1A1FLT4

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 SMN1; SMN2 2265/4885L3MBTL1 3011/4885POLB 3945/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 SMN1; SMN2 2265/4885L3MBTL1 3011/4885POLB 3945/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 SMN1; SMN2 2646/4885L3MBTL1 1303/4885POLB 2644/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 SMN1; SMN2 2156/4885L3MBTL1 3090/4885POLB 4161/4885

“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.