SCHEMBL12401319

SCHEMBL12401319

CC(C)(C)C(=O)C(NC(=O)OCC1CCCCO1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39

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
SCHEMBL16330204 0.89 LMNA (0.43) LMNAPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL15338714 0.88 LMNA (0.42) LMNAPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL8139057 0.86 LMNA (0.41) LMNAPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL12636348 0.86 LMNA (0.41) LMNAPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL12401173 0.81 CTSK (0.37) LMNAHDAC3HDAC1HDAC2CNR1
SCHEMBL12401303 0.79 HDAC3 (0.35) LMNAHDAC3HDAC1HDAC2CNR1
SCHEMBL28290423 0.77 LMNA (0.49) LMNAPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL12401339 0.77 HDAC3 (0.41) HDAC3HDAC1HDAC2CNR1CNR2
SCHEMBL19287554 0.77 LMNA (0.55) LMNAPOLBALDH1A1CYP1A2CYP2C19
SCHEMBL1469850 0.73 LMNA (0.54) LMNAPOLBALDH1A1MEN1KMT2A

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-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-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 LMNA 2814/4885POLB 3945/4885ALDH1A1 1374/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 LMNA 2814/4885POLB 3945/4885ALDH1A1 1374/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 LMNA 1534/4885POLB 2644/4885ALDH1A1 2219/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 LMNA 2850/4885POLB 4161/4885ALDH1A1 1255/4885

“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.