SCHEMBL2114953

SCHEMBL2114953

CC(C)(C)OC(=O)N1CCC2C1C(C(=O)Nc1ccccc1)CN2C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ELANE P08246 1/20 0.44
ENPP2 Q13822 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 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
SCHEMBL2622142 1.00 KDM4E (0.47) KDM4ELMNAHSD17B10NPSR1ELANE
SCHEMBL2622141 0.89 ELANE (0.48) ELANE
SCHEMBL2622087 0.89 ELANE (0.48) ELANE
SCHEMBL1933817 0.89 ELANE (0.48) ELANE
SCHEMBL2622091 0.89 ELANE (0.46) ELANE
SCHEMBL2622107 0.89 ELANE (0.46) ELANE
SCHEMBL2114028 0.89 ELANE (0.46) ELANE
SCHEMBL2622140 0.89 ELANE (0.46) ELANE
SCHEMBL2622182 0.88 ELANE (0.45) KDM4EELANETSHR
SCHEMBL2114288 0.88 ELANE (0.45) KDM4EELANETSHR

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 4 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-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 KDM4E 2828/4885LMNA 767/4885HSD17B10 4218/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 KDM4E 2828/4885LMNA 767/4885HSD17B10 4218/4885

“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.