SCHEMBL2317231

SCHEMBL2317231

CCCCc1ccc(NC(=O)[C@H](C)NC)c(=O)n1CC(=O)NCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.54
TP53 P04637 4/20 0.45
MAPT P10636 4/20 0.45
RXFP1 Q9HBX9 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ELANE P08246 2/20 0.43
CTRC Q99895 1/20 0.43
IL1B P01584 1/20 0.43
POLB P06746 3/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
XIAP P98170 1/20 0.41

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
SCHEMBL2317237 1.00 CASP1 (0.54) CASP1TP53MAPTRXFP1SMN1; SMN2
SCHEMBL2316482 0.91 CASP1 (0.52) CASP1TP53MAPTRXFP1SMN1; SMN2
SCHEMBL2316492 0.91 CASP1 (0.52) CASP1TP53MAPTRXFP1SMN1; SMN2
SCHEMBL2321803 0.85 F2 (0.52) CASP1TP53MAPTRXFP1SMN1; SMN2
SCHEMBL1329939 0.84 ELANE (0.52) CASP1TP53MAPTRXFP1ELANE
SCHEMBL1329937 0.84 ELANE (0.52) CASP1TP53MAPTRXFP1ELANE
SCHEMBL2317041 0.79 XIAP (0.63) CASP1TP53MAPTRXFP1SMN1; SMN2
SCHEMBL2317036 0.79 XIAP (0.63) CASP1TP53MAPTRXFP1SMN1; SMN2
SCHEMBL2318569 0.78 MAPT (0.45) TP53MAPTRXFP1SMN1; SMN2POLB
SCHEMBL12127800 0.78 MAPT (0.45) TP53MAPTRXFP1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US claimed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US claimed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-7989441-B2 Organic compounds NOVARTIS AG (CH) 2011-08-02 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 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 (2 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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 CASP1 43/4885TP53 7/4885MAPT 1521/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 CASP1 43/4885TP53 7/4885MAPT 1519/4885

“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.