SCHEMBL8511799

SCHEMBL8511799

CNC(C)C(=O)NC(C(=O)N1CCC2C1C(OCc1ccc(F)cc1)CN2C(=O)C(C)=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 12/20 0.42
XIAP P98170 12/20 0.42
BIRC3 Q13489 7/20 0.42
CASP9 P55211 1/20 0.39
CYP3A4 P08684 1/20 0.36
TNF P01375 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9613412 1.00 BIRC2 (0.42) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL9613410 0.95 BIRC2 (0.43) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL8513783 0.95 BIRC2 (0.43) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL13017986 0.92 BIRC2 (0.42) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL8510536 0.92 XIAP (0.44) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL9613411 0.92 BIRC2 (0.42) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL8514515 0.92 BIRC2 (0.42) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL9613512 0.92 XIAP (0.44) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL8511131 0.91 BIRC2 (0.42) BIRC2XIAPBIRC3CASP9CYP3A4
SCHEMBL8511128 0.91 BIRC2 (0.42) BIRC2XIAPBIRC3CASP9CYP3A4

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-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 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-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 BIRC2 4/4885XIAP 1/4885BIRC3 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.