SCHEMBL12464464

SCHEMBL12464464

NCCCCC(N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(CCCCN)C(=O)NC(Cc1cccs1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.54
FCER2 P06734 1/20 0.44
NPY4R P50391 5/20 0.43
NPY1R P25929 4/20 0.43
NPY2R P49146 4/20 0.43
NPY5R Q15761 4/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
IDE P14735 3/20 0.42
UTS2R Q9UKP6 1/20 0.42

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
SCHEMBL12464088 0.99 CTSC (0.53) CTSCFCER2NPY4RNPY1RNPY2R
SCHEMBL14534320 0.93 CTSC (0.51) CTSCFCER2NPY4RNPY1RNPY2R
SCHEMBL12464086 0.93 CTSC (0.51) CTSCFCER2NPY4RNPY1RNPY2R
SCHEMBL12464463 0.91 FCER2 (0.52) FCER2NPY4RNPY1RNPY2RNPY5R
SCHEMBL12464457 0.86 FCER2 (0.49) FCER2NPY4RNPY1RNPY2RNPY5R
SCHEMBL14639989 0.85 CTSC (0.51) CTSCFCER2NPY4RNPY1RNPY2R
SCHEMBL14639987 0.85 NPY4R (0.44) CTSCNPY4RNPY1RNPY2RNPY5R
SCHEMBL12464085 0.85 NPY4R (0.44) CTSCNPY4RNPY1RNPY2RNPY5R
SCHEMBL13952352 0.85 FCER2 (0.52) FCER2NPY4RNPY1RNPY2RNPY5R
SCHEMBL12464462 0.84 FCER2 (0.51) FCER2NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 US disclosed
US-7217688-B2 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2007-05-15 US disclosed
US-20070003535-A1 Methods and compositions for derepression of IAP-inhibited caspase NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-01-04 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 (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-20070003535-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 CTSC 364/4885FCER2 4759/4885NPY4R 4210/4885

“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.