SCHEMBL2117030

SCHEMBL2117030

CC(NCC(=O)OC(C)(C)C)C(=O)NC(C(=O)N1CCC2C1C(C(=O)Nc1ccccc1)CN2C(=O)OCc1ccccc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
REN P00797 2/20 0.38
CTSL P07711 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
XIAP P98170 2/20 0.36
BIRC3 Q13489 2/20 0.36
BIRC2 Q13490 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL2113431 0.92 CTSL (0.40) RENCTSLXIAPBIRC3
SCHEMBL2622146 0.88 CTSL (0.49) HSD17B10KDM4ELMNACTSLNPSR1
SCHEMBL17577895 0.88 CTSL (0.49) HSD17B10KDM4ELMNACTSLNPSR1
SCHEMBL2115417 0.88 CTSL (0.49) HSD17B10KDM4ELMNACTSLNPSR1
SCHEMBL2439989 0.88 CTSL (0.42) RENCTSLXIAPBIRC3BIRC2
SCHEMBL2622149 0.86 HSD17B10 (0.39) HSD17B10KDM4ELMNACTSLNPSR1
SCHEMBL2117031 0.86 HSD17B10 (0.39) HSD17B10KDM4ELMNACTSLNPSR1
SCHEMBL13049917 0.80 CTSL (0.51) CTSL
SCHEMBL2622142 0.80 KDM4E (0.47) HSD17B10KDM4ELMNANPSR1
SCHEMBL2114953 0.80 KDM4E (0.47) HSD17B10KDM4ELMNANPSR1

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 3 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

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

“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.