SCHEMBL2622170

SCHEMBL2622170

COC(=O)[C@H]1CN(c2ncccn2)[C@@H]2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.37
VHL P40337 1/20 0.35
ELOC Q15369 1/20 0.35
ELOB Q15370 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
KLK5 Q9Y337 1/20 0.34

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
SCHEMBL2116965 1.00 ELANE (0.37) ELANEVHLELOCELOBGPR119
SCHEMBL2622165 0.80 ELANE (0.34) ELANEKLK5
SCHEMBL2117853 0.80 ELANE (0.34) ELANEKLK5
SCHEMBL2632142 0.74 ELANE (0.36) ELANEKLK5
SCHEMBL13448826 0.73 KMT2A (0.43) ELANEGPR119
SCHEMBL17554689 0.71 ELANE (0.36) ELANE
SCHEMBL30556768 0.69 CTSL (0.37) ELANEKLK5
SCHEMBL8046113 0.68 KLK5 (0.51) ELANEKLK5
SCHEMBL14202917 0.68 KLK5 (0.51) ELANEKLK5
SCHEMBL26120677 0.68 CTSL (0.39) ELANEKLK5

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 6 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-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

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 692/4885VHL 287/4885ELOC 2766/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 ELANE 692/4885VHL 287/4885ELOC 2766/4885

“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.