SCHEMBL12401381

SCHEMBL12401381

CC(C)(C)C(=O)[C@@H](NC(=O)CC1CCC(O)CC1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
ACACB O00763 1/20 0.30
EPHX1 P07099 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL12401346 0.88 KMT2A (0.42) EPHX1HPGDKMT2A
SCHEMBL12401388 0.86 KMT2A (0.45) EPHX1HPGDKMT2A
SCHEMBL15219760 0.86 ACACB (0.31) CNR1CNR2ACACBEPHX1HPGD
SCHEMBL12401196 0.86 KMT2A (0.45) EPHX1HPGDKMT2A
SCHEMBL12401261 0.86 KMT2A (0.45) EPHX1HPGDKMT2A
SCHEMBL12401384 0.86 KMT2A (0.45) EPHX1HPGDKMT2A
SCHEMBL12401209 0.84 CNR2 (0.41) CNR1CNR2NAMPT
SCHEMBL12468388 0.84 ACACB (0.32) ACACB
SCHEMBL12571907 0.82 LMNA (0.30)
SCHEMBL12401242 0.81 ANO1 (0.31)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
WO-2008106139-A1 INHIBITORS OF SERINE PROTEASES FOR THE TREATMENT OF HCV INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-04 WO 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 (1 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 CNR1 4349/4885CNR2 4814/4885ACACB 2574/4885

“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.