SCHEMBL17024537

SCHEMBL17024537

COC(=O)c1ccc(CN(CCc2ccccc2)C(=O)[C@@H]2Cc3ccccc3CN2C(=O)[C@@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 19/20 0.54
BIRC2 Q13490 19/20 0.54
BIRC3 Q13489 17/20 0.54
ACE P12821 1/20 0.39

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
SCHEMBL17024538 1.00 XIAP (0.54) XIAPBIRC2BIRC3ACE
SCHEMBL17024578 0.95 XIAP (0.54) XIAPBIRC2BIRC3ACE
SCHEMBL17024576 0.95 XIAP (0.54) XIAPBIRC2BIRC3ACE
SCHEMBL17031948 0.95 XIAP (0.54) XIAPBIRC2BIRC3ACE
SCHEMBL17024634 0.90 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL17024635 0.90 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL18635814 0.89 XIAP (0.52) XIAPBIRC2BIRC3
SCHEMBL17024569 0.87 XIAP (0.53) XIAPBIRC2BIRC3ACE
SCHEMBL17024571 0.87 XIAP (0.53) XIAPBIRC2BIRC3ACE
SCHEMBL17024729 0.84 XIAP (0.55) XIAPBIRC2BIRC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
US-9603889-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-28 US disclosed
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
EP-2903998-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-15 EP disclosed
US-20150238558-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 US disclosed
US-20150238558-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-27 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-20150238558-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 XIAP 1/4885BIRC2 4/4885BIRC3 5/4885

“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.