SCHEMBL12422146

SCHEMBL12422146

CN[C@@H](C)C(=O)N[C@@H](CCNC(=O)c1cccc(C(=O)NCC[C@H](NC(=O)[C@H](C)NC)C(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCCc3ccccc32)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 18/20 0.58
BIRC3 Q13489 10/20 0.58
BIRC2 Q13490 9/20 0.58
BIRC7 Q96CA5 4/20 0.58

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
SCHEMBL12674533 0.98 XIAP (0.56) XIAPBIRC3BIRC2BIRC7
SCHEMBL13104601 0.95 XIAP (0.58) XIAPBIRC3BIRC2BIRC7
SCHEMBL10081311 0.95 XIAP (0.58) XIAPBIRC3BIRC2BIRC7
SCHEMBL12422386 0.94 XIAP (0.56) XIAPBIRC3BIRC2BIRC7
SCHEMBL12381053 0.93 XIAP (0.56) XIAPBIRC3BIRC2BIRC7
SCHEMBL12421698 0.93 XIAP (0.60) XIAPBIRC3BIRC2BIRC7
SCHEMBL13872920 0.92 XIAP (0.59) XIAPBIRC3BIRC2BIRC7
SCHEMBL14390502 0.92 XIAP (0.55) XIAPBIRC3BIRC2BIRC7
SCHEMBL12674530 0.92 XIAP (0.55) XIAPBIRC3BIRC2BIRC7
SCHEMBL12381616 0.91 BIRC2 (0.58) XIAPBIRC3BIRC2BIRC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551955-B2 Dimeric Smac mimetics JOYANT PHARMACEUTICALS, INC. (US) 2013-10-08 US disclosed
US-20110195043-A1 Dimeric Smac Mimetics JOYANT PHARMACEUTICALS, INC. 2011-08-11 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-20110195043-A1 Dimeric Smac Mimetics BID, BIRC2, BAD XIAP 19/4885BIRC3 5/4885BIRC2 2/4885

“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.