SCHEMBL1750554

SCHEMBL1750554

CC(C)(C)OC(=O)N1CCC[C@H]1/C=C/COS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HCRTR2 O43614 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL14001868 0.85 HSD17B10 (0.42) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6133203 0.82 USP2 (0.38) SMN1; SMN2HCRTR2
SCHEMBL6133202 0.82 USP2 (0.38) SMN1; SMN2HCRTR2
SCHEMBL27513557 0.82 USP2 (0.38) SMN1; SMN2HCRTR2
SCHEMBL25842985 0.82 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2451848 0.82 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL12021080 0.82 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2451847 0.82 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL818916 0.81 CHRM2 (0.33) HSD17B10HCRTR2
SCHEMBL402245 0.81 CHRM2 (0.33) HSD17B10HCRTR2

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920093-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2018-03-20 US disclosed
US-9920093-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2018-03-20 US disclosed
US-9920093-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2018-03-20 US disclosed
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-9840464-B2 IAP binding compounds TetraLogic Birinapant UK Ltd. (GB) 2017-12-12 US disclosed
US-20160355547-A1 Dimeric IAP Inhibitors TETRALOGIC BIRINAPANT UK LTD (GB) 2016-12-08 US disclosed
US-20160355547-A1 Dimeric IAP Inhibitors TETRALOGIC BIRINAPANT UK LTD (GB) 2016-12-08 US disclosed
US-20160355547-A1 Dimeric IAP Inhibitors TETRALOGIC BIRINAPANT UK LTD (GB) 2016-12-08 US disclosed
US-20160289183-A1 IAP Binding Compounds TETRALOGIC PHARMACEUTICALS CORPORATION 2016-10-06 US disclosed
US-7968590-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-06-28 US disclosed
US-20100075911-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-20100075911-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2010-03-25 US disclosed
US-7517906-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-7517906-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-04-14 US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 US disclosed
US-20090048183-A1 IAP BINDING COMPOUNDS TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2009-02-19 US disclosed
US-7456209-B2 IAP binding compounds TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2008-11-25 US disclosed
US-20060194741-A1 Dimeric IAP inhibitors MEDIVIR AB (SE) 2006-08-31 US disclosed
US-20060025347-A1 IAP binding compounds MEDIVIR AB (SE) 2006-02-02 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 (6 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-20160289183-A1 IAP Binding Compounds BIRC5, API5, BIRC2 HSD17B10 4137/4885SMN1; SMN2 1827/4885ALDH1A1 3870/4885
US-20100075911-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 HSD17B10 3446/4885SMN1; SMN2 537/4885ALDH1A1 4592/4885
US-20060194741-A1 Dimeric IAP inhibitors BIRC2, BIRC3, BIRC5 HSD17B10 2998/4885SMN1; SMN2 728/4885ALDH1A1 4440/4885
US-20060025347-A1 IAP binding compounds BIRC5, BIRC2, API5 HSD17B10 4105/4885SMN1; SMN2 1794/4885ALDH1A1 4014/4885
US-20160355547-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 HSD17B10 3446/4885SMN1; SMN2 537/4885ALDH1A1 4592/4885
US-20090048183-A1 IAP BINDING COMPOUNDS BIRC5, BIRC2, API5 HSD17B10 4105/4885SMN1; SMN2 1794/4885ALDH1A1 4014/4885

“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.