SCHEMBL2114028

SCHEMBL2114028

COC(=O)C1CN(C(=O)OCc2ccccc2)C2CCN(C(=O)OC(C)(C)C)C12

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.46
HTT P42858 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 1/20 0.44
CTSG P08311 1/20 0.44

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
SCHEMBL2622107 1.00 ELANE (0.46) ELANEHTTNPC1RAB9ASMN1; SMN2
SCHEMBL2622091 1.00 ELANE (0.46) ELANEHTTNPC1RAB9ASMN1; SMN2
SCHEMBL2622140 1.00 ELANE (0.46) ELANEHTTNPC1RAB9ASMN1; SMN2
SCHEMBL1933817 0.91 ELANE (0.48) ELANEF2CTSG
SCHEMBL2622087 0.91 ELANE (0.48) ELANEF2CTSG
SCHEMBL2622141 0.91 ELANE (0.48) ELANEF2CTSG
SCHEMBL1934454 0.89 CYP2C19 (0.47) ELANESMN1; SMN2F2CTSG
SCHEMBL2114953 0.89 KDM4E (0.47) ELANE
SCHEMBL2622142 0.89 KDM4E (0.47) ELANE
SCHEMBL1933998 0.87 ELANE (0.45) ELANEF2CTSG

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 10 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-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 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
EP-2434890-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
WO-2010138666-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 (3 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-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ELANE 692/4885HTT 786/4885NPC1 757/4885
US-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ELANE 692/4885HTT 786/4885NPC1 757/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ELANE 692/4885HTT 786/4885NPC1 757/4885

“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.