SCHEMBL2632085

SCHEMBL2632085

CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)Nc1ccccc1)CN2S(C)(=O)=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.44
CASP9 P55211 1/20 0.43
BIRC2 Q13490 14/20 0.41
BIRC3 Q13489 6/20 0.41
MAPT P10636 1/20 0.38

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
SCHEMBL2114001 1.00 XIAP (0.44) XIAPCASP9BIRC2BIRC3MAPT
SCHEMBL2632116 0.91 XIAP (0.47) XIAPCASP9BIRC2BIRC3
SCHEMBL2113166 0.91 XIAP (0.47) XIAPCASP9BIRC2BIRC3
SCHEMBL10284377 0.89 XIAP (0.44) XIAPCASP9BIRC2BIRC3
SCHEMBL2115855 0.89 XIAP (0.44) XIAPCASP9BIRC2BIRC3
SCHEMBL2113168 0.88 XIAP (0.46) XIAPCASP9BIRC2BIRC3
SCHEMBL2632123 0.88 XIAP (0.46) XIAPCASP9BIRC2BIRC3
SCHEMBL2632175 0.87 EPHX2 (0.41) XIAPCASP9BIRC2BIRC3
SCHEMBL2114218 0.87 EPHX2 (0.41) XIAPCASP9BIRC2BIRC3
SCHEMBL2113660 0.87 XIAP (0.40) XIAPCASP9BIRC2BIRC3

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 1/4885CASP9 63/4885BIRC2 4/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885CASP9 63/4885BIRC2 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.