SCHEMBL12329641

SCHEMBL12329641

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](c1c[nH]c3cc(F)ccc13)CN2C1CCCC1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNF P01375 3/20 0.42
XIAP P98170 11/20 0.40
BIRC3 Q13489 9/20 0.40
BIRC2 Q13490 4/20 0.36
BIRC7 Q96CA5 1/20 0.36
CASP9 P55211 1/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
KCNH2 Q12809 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
SCHEMBL2440956 1.00 TNF (0.42) TNFXIAPBIRC3BIRC2BIRC7
SCHEMBL12299766 1.00 TNF (0.42) TNFXIAPBIRC3BIRC2BIRC7
SCHEMBL13448822 0.91 XIAP (0.43) TNFXIAPBIRC3BIRC2BIRC7
SCHEMBL12299769 0.91 XIAP (0.43) TNFXIAPBIRC3BIRC2BIRC7
SCHEMBL2445027 0.91 XIAP (0.43) TNFXIAPBIRC3BIRC2BIRC7
SCHEMBL12329391 0.91 XIAP (0.43) TNFXIAPBIRC3BIRC2BIRC7
SCHEMBL2442674 0.90 TNF (0.42) TNFXIAPBIRC3BIRC2BIRC7
SCHEMBL12299874 0.90 TNF (0.42) TNFXIAPBIRC3BIRC2BIRC7
SCHEMBL12329407 0.89 XIAP (0.39) TNFXIAPBIRC3BIRC2BIRC7
SCHEMBL2441070 0.89 XIAP (0.43) TNFXIAPBIRC3BIRC2

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
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
WO-2010033531-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-03-25 WO 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 TNF 97/4885XIAP 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.