SCHEMBL16990972

SCHEMBL16990972

C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 20/20 0.63
BIRC3 Q13489 7/20 0.53
BIRC2 Q13490 7/20 0.53

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
SCHEMBL16990974 1.00 XIAP (0.63) XIAPBIRC3BIRC2
SCHEMBL16990976 0.95 XIAP (0.64) XIAPBIRC3BIRC2
SCHEMBL16990978 0.95 XIAP (0.64) XIAPBIRC3BIRC2
SCHEMBL16990993 0.95 XIAP (0.62) XIAPBIRC3BIRC2
SCHEMBL16991068 0.95 XIAP (0.62) XIAPBIRC3BIRC2
SCHEMBL15566259 0.91 XIAP (0.57) XIAPBIRC3BIRC2
SCHEMBL16990995 0.91 XIAP (0.62) XIAPBIRC3BIRC2
SCHEMBL16991007 0.91 XIAP (0.54) XIAPBIRC3BIRC2
SCHEMBL18569729 0.91 XIAP (0.54) XIAPBIRC3BIRC2
SCHEMBL16991008 0.91 XIAP (0.54) XIAPBIRC3BIRC2

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
EP-2882740-B1 IAP ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2017-03-01 EP disclosed
US-9453048-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150225452-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-13 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-20150225452-A1 IAP ANTAGONISTS XIAP, API5, BIRC5 XIAP 1/4885BIRC3 6/4885BIRC2 4/4885

“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.