SCHEMBL2622182

SCHEMBL2622182

CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1[C@@H](C(=O)Nc1cccc3ccccc13)CN2C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
HDAC8 Q9BY41 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL2114288 1.00 ELANE (0.45) ELANEHDAC8TSHRL3MBTL1MEN1
SCHEMBL2632174 0.90 PREP (0.41) ELANEHDAC8TSHRL3MBTL1MEN1
SCHEMBL2115504 0.90 PREP (0.41) ELANEHDAC8TSHRL3MBTL1MEN1
SCHEMBL2114953 0.88 KDM4E (0.47) ELANETSHRKDM4E
SCHEMBL2622142 0.88 KDM4E (0.47) ELANETSHRKDM4E
SCHEMBL1933817 0.83 ELANE (0.48) ELANE
SCHEMBL2622141 0.83 ELANE (0.48) ELANE
SCHEMBL2622087 0.83 ELANE (0.48) ELANE
SCHEMBL2622107 0.82 ELANE (0.46) ELANE
SCHEMBL2622140 0.82 ELANE (0.46) ELANE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434889-B1 IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2016-03-09 EP disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
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-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
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 ELANE 692/4885HDAC8 1385/4885TSHR 4630/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ELANE 692/4885HDAC8 1385/4885TSHR 4630/4885

“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.