SCHEMBL12401138

SCHEMBL12401138

COc1cccc(CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
USP2 O75604 1/20 0.52
MAPK8 P45983 1/20 0.50
PRKACA P17612 5/20 0.48
ROCK1 Q13464 5/20 0.48
CYP3A4 P08684 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CSNK1D P48730 1/20 0.48
GLS O94925 1/20 0.48
KCNQ2 O43526 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL12401266 0.89 RAB9A (0.53) ALDH1A1RAB9AGAA
SCHEMBL12330142 0.88 POLB (0.51) POLBALDH1A1RAB9AUSP2MAPK8
SCHEMBL12401180 0.86 VNN1 (0.49) CSNK1DGLS
SCHEMBL12467363 0.86 ALDH1A1 (0.49) POLBALDH1A1RAB9AUSP2MAPK8
SCHEMBL12401162 0.84 NPC1 (0.55) ALDH1A1RAB9A
SCHEMBL12401203 0.82 MEN1 (0.54) POLBALDH1A1CYP3A4MEN1KMT2A
SCHEMBL15831226 0.79 POLB (0.58) POLBALDH1A1RAB9AUSP2MAPK8
SCHEMBL968090 0.78 POLB (0.59) POLBALDH1A1RAB9AUSP2MAPK8
SCHEMBL14943217 0.78 HDAC1 (0.51) ALDH1A1RAB9AGAA
SCHEMBL16312235 0.76 ALDH1A1 (0.57) POLBALDH1A1RAB9AUSP2MAPK8

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 POLB 3945/4885ALDH1A1 1374/4885RAB9A 2004/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 POLB 3945/4885ALDH1A1 1374/4885RAB9A 2004/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 POLB 2644/4885ALDH1A1 2219/4885RAB9A 3172/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 POLB 4161/4885ALDH1A1 1255/4885RAB9A 2014/4885

“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.