SCHEMBL2631838

SCHEMBL2631838

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)NCc1ccccc1)CN2S(C)(=O)=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.46
BIRC3 Q13489 5/20 0.46
BIRC2 Q13490 11/20 0.45

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
SCHEMBL2115283 1.00 XIAP (0.46) XIAPBIRC3BIRC2
SCHEMBL2115902 0.92 GLA (0.43) XIAPBIRC3BIRC2
SCHEMBL2117128 0.92 XIAP (0.45) XIAPBIRC3BIRC2
SCHEMBL2114710 0.92 XIAP (0.45) XIAPBIRC3BIRC2
SCHEMBL2631841 0.92 GLA (0.43) XIAPBIRC3BIRC2
SCHEMBL2632164 0.92 XIAP (0.45) XIAPBIRC3BIRC2
SCHEMBL15085692 0.92 XIAP (0.45) XIAPBIRC3BIRC2
SCHEMBL2114003 0.89 XIAP (0.48) XIAPBIRC3BIRC2
SCHEMBL2632166 0.89 XIAP (0.48) XIAPBIRC3BIRC2
SCHEMBL2115381 0.89 XIAP (0.44) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 US disclosed
WO-2010138496-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 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 (2 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-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885BIRC3 5/4885BIRC2 4/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885BIRC3 5/4885BIRC2 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.