SCHEMBL2632124

SCHEMBL2632124

CNC(=O)N1C[C@H](C(=O)Nc2cccc3ccccc23)[C@@H]2[C@H]1CCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XIAP P98170 16/20 0.48
CASP9 P55211 1/20 0.39
BIRC3 Q13489 5/20 0.38
BIRC2 Q13490 5/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2117250 0.94 XIAP (0.49) XIAPCASP9BIRC3BIRC2CYP3A4
SCHEMBL2632208 0.94 XIAP (0.49) XIAPCASP9BIRC3BIRC2CYP3A4
SCHEMBL2113161 0.89 XIAP (0.45) XIAPCASP9BIRC3BIRC2CYP3A4
SCHEMBL2631846 0.89 XIAP (0.45) XIAPCASP9BIRC3BIRC2CYP3A4
SCHEMBL13048262 0.89 XIAP (0.45) XIAPCASP9BIRC3BIRC2CYP3A4
SCHEMBL23847519 0.89 XIAP (0.45) XIAPCASP9BIRC3BIRC2CYP3A4
SCHEMBL2632123 0.88 XIAP (0.46) XIAPCASP9BIRC3BIRC2CYP3A4
SCHEMBL2113168 0.88 XIAP (0.46) XIAPCASP9BIRC3BIRC2CYP3A4
SCHEMBL15095355 0.83 XIAP (0.49) XIAPCASP9BIRC3BIRC2CYP3A4
SCHEMBL2632188 0.83 XIAP (0.40) XIAPCASP9BIRC3BIRC2CYP3A4

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 63/4885BIRC3 5/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 XIAP 1/4885CASP9 63/4885BIRC3 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.