SCHEMBL2115504

SCHEMBL2115504

CC(C)(C)OC(=O)N1CCC2C1C(C(=O)Nc1cccc3ccccc13)CN2C(=O)CNC(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.41
HDAC8 Q9BY41 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ELANE P08246 1/20 0.39
ABCB1 P08183 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
GHSR Q92847 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL2632174 1.00 PREP (0.41) PREPHDAC8MEN1KMT2AELANE
SCHEMBL2622182 0.90 ELANE (0.45) HDAC8MEN1KMT2AELANEKDM4E
SCHEMBL2114288 0.90 ELANE (0.45) HDAC8MEN1KMT2AELANEKDM4E
SCHEMBL17554691 0.90 PREP (0.45) PREPHDAC8ELANEKDM4EUSP2
SCHEMBL2117039 0.89 ITGB3 (0.39) PREPELANE
SCHEMBL2631845 0.89 ITGB3 (0.39) PREPELANE
SCHEMBL13049934 0.89 ITGB3 (0.39) PREPELANE
SCHEMBL13049935 0.88 PREP (0.40) PREPHDAC8ELANEKDM4E
SCHEMBL2115499 0.88 PREP (0.40) PREPHDAC8ELANEKDM4E
SCHEMBL2631847 0.88 PREP (0.40) PREPHDAC8ELANEKDM4E

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 5 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
EP-2434889-A1 IAP INHIBITORS Tetralogic Pharmaceuticals Corp. (US) 2012-04-04 EP 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 PREP 195/4885HDAC8 1385/4885MEN1 2419/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 PREP 195/4885HDAC8 1385/4885MEN1 2419/4885

“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.