SCHEMBL2117977

SCHEMBL2117977

CC(C(=O)NC(C(=O)N1CCC2C1C(C(=O)NC1CCCc3ccccc31)CN2C(=O)C1CC1)C1CCCCC1)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XIAP P98170 14/20 0.45
BIRC3 Q13489 4/20 0.45
CASP9 P55211 1/20 0.38
BIRC2 Q13490 6/20 0.38
CTSK P43235 2/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
USP2 O75604 1/20 0.36

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
SCHEMBL2622156 1.00 XIAP (0.45) XIAPBIRC3CASP9BIRC2CTSK
SCHEMBL2115252 0.84 XIAP (0.63) XIAPBIRC3CASP9BIRC2
SCHEMBL2631840 0.84 XIAP (0.63) XIAPBIRC3CASP9BIRC2
SCHEMBL17554688 0.83 XIAP (0.48) XIAPBIRC3BIRC2HTTALDH1A1
SCHEMBL17554687 0.81 XIAP (0.48) XIAPBIRC3CASP9BIRC2HTT
SCHEMBL2622153 0.81 XIAP (0.46) XIAPBIRC3CASP9BIRC2HTT
SCHEMBL2113962 0.81 XIAP (0.46) XIAPBIRC3CASP9BIRC2HTT
SCHEMBL17577873 0.79 XIAP (0.46) XIAPBIRC3CASP9BIRC2HTT
SCHEMBL2115723 0.79 XIAP (0.46) XIAPBIRC3CASP9BIRC2HTT
SCHEMBL2622100 0.79 XIAP (0.46) XIAPBIRC3CASP9BIRC2HTT

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-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

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

“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.