SCHEMBL2444616

SCHEMBL2444616

CNC(C)C(=O)NC(C(=O)N1CCC2C1C(c1c[nH]c3cc(F)ccc13)CN2C1CCCC1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XIAP P98170 15/20 0.43
BIRC3 Q13489 8/20 0.43
TNF P01375 4/20 0.42
BIRC2 Q13490 4/20 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
SCHEMBL2441070 1.00 XIAP (0.43) XIAPBIRC3TNFBIRC2
SCHEMBL12299773 1.00 XIAP (0.43) XIAPBIRC3TNFBIRC2
SCHEMBL12299785 1.00 XIAP (0.43) XIAPBIRC3TNFBIRC2
SCHEMBL2441243 0.96 XIAP (0.41) XIAPBIRC3TNFBIRC2
SCHEMBL12299787 0.96 XIAP (0.41) XIAPBIRC3TNFBIRC2
SCHEMBL2444430 0.96 XIAP (0.41) XIAPBIRC3TNFBIRC2
SCHEMBL12299786 0.96 XIAP (0.41) XIAPBIRC3TNFBIRC2
SCHEMBL12300019 0.93 XIAP (0.45) XIAPBIRC3TNFBIRC2
SCHEMBL2439481 0.93 XIAP (0.45) XIAPBIRC3TNFBIRC2
SCHEMBL12300055 0.92 XIAP (0.42) XIAPBIRC3TNFBIRC2

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-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885BIRC3 5/4885TNF 97/4885

“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.