SCHEMBL17024558

SCHEMBL17024558

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 9/20 0.49
BIRC2 Q13490 9/20 0.49
BIRC3 Q13489 8/20 0.49
ACE P12821 7/20 0.42
ABCB11 O95342 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL17024560 1.00 XIAP (0.49) XIAPBIRC2BIRC3ACEABCB11
SCHEMBL18673908 1.00 XIAP (0.49) XIAPBIRC2BIRC3ACEABCB11
SCHEMBL17031947 0.91 XIAP (0.48) XIAPBIRC2BIRC3ACEABCB11
SCHEMBL18635864 0.89 XIAP (0.43) XIAPBIRC2BIRC3
SCHEMBL15639891 0.87 XIAP (0.45) XIAPBIRC2BIRC3ACEABCB11
SCHEMBL17024634 0.87 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL17024635 0.87 XIAP (0.54) XIAPBIRC2BIRC3
SCHEMBL17024660 0.87 XIAP (0.46) XIAPBIRC2BIRC3ACEHDAC1
SCHEMBL17024658 0.87 XIAP (0.46) XIAPBIRC2BIRC3ACEHDAC1
SCHEMBL18635823 0.87 CFTR (0.42) 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.