SCHEMBL12401159

SCHEMBL12401159

CC(C)(C)C(=O)C(NC(=O)NCc1cccc(F)c1)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.56
EPHX2 P34913 1/20 0.50
OPRM1 P35372 3/20 0.47
ROCK2 O75116 2/20 0.46
OPRL1 P41146 2/20 0.46
ROCK1 Q13464 1/20 0.46
IDH1 O75874 1/20 0.44
MTOR P42345 1/20 0.44
LMNA P02545 1/20 0.44
SRC P12931 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
FOLH1 Q04609 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 2/20 0.43
NAMPT P43490 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL16330182 0.89 ANPEP (0.57) ANPEPEPHX2OPRM1ROCK2OPRL1
SCHEMBL15219603 0.88 ANPEP (0.56) ANPEPEPHX2OPRM1ROCK2OPRL1
SCHEMBL12482565 0.86 ANPEP (0.55) ANPEPEPHX2OPRM1ROCK2OPRL1
SCHEMBL8138881 0.86 ANPEP (0.58) ANPEPEPHX2OPRM1ROCK2OPRL1
SCHEMBL12330833 0.84 L3MBTL1 (0.54) ANPEPALDH1A1
SCHEMBL12401144 0.79 GRM5 (0.49) RAB9A
SCHEMBL12401273 0.78 SMN1; SMN2 (0.54) LMNAALDH1A1
SCHEMBL15471186 0.77 SRC (0.52) ANPEPEPHX2LMNASRCALDH1A1
SCHEMBL15623799 0.76 ALDH1A1 (0.58) ANPEPALDH1A1MAPK1
SCHEMBL9269432 0.75 ANPEP (0.58) ANPEPEPHX2OPRM1ROCK2OPRL1

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 ANPEP 38/4885EPHX2 3504/4885OPRM1 4522/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ANPEP 38/4885EPHX2 3504/4885OPRM1 4522/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 ANPEP 49/4885EPHX2 1924/4885OPRM1 4260/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 ANPEP 45/4885EPHX2 3577/4885OPRM1 4691/4885

“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.