SCHEMBL2451848

SCHEMBL2451848

CC(C)(C)OC(=O)N1CCCC1C=CCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2451847 1.00 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL12021080 1.00 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL25842985 0.89 HSD17B10 (0.44) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL14001868 0.86 HSD17B10 (0.42) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL2688456 0.84 ALDH1A1 (0.40) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL2688457 0.84 ALDH1A1 (0.40) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL2688459 0.84 ALDH1A1 (0.40) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL3604748 0.84 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL19958804 0.84 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL15356409 0.84 HSD17B10 (0.47) HSD17B10SMN1; SMN2ALDH1A1NPC1MEN1

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 15 patents. 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-20160355547-A1 Dimeric IAP Inhibitors TETRALOGIC BIRINAPANT UK LTD (GB) 2016-12-08 US disclosed
US-20160052965-A1 Dimeric IAP Inhibitors TetraLogic Birinapant UK Ltd. (GB) 2016-02-25 US disclosed
US-9187490-B2 Dimeric IAP inhibitors TetraLogic Birinapant UK Ltd. (GB) 2015-11-17 US disclosed
US-20140329823-A1 Dimeric IAP Inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-11-06 US disclosed
US-8822525-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2014-09-02 US disclosed
EP-1851200-B1 DIMERIC IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2014-01-15 EP disclosed
US-20130289042-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION 2013-10-31 US disclosed
US-8497297-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-30 US disclosed
US-20110301151-A1 DIMERIC IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORPORATION 2011-12-08 US disclosed
EP-2385038-A1 Dimeric IAP inhibitors Tetralogic Pharmaceuticals Corporation (US) 2011-11-09 EP disclosed
US-8022230-B2 Dimeric IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2011-09-20 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-20060194741-A1 Dimeric IAP inhibitors MEDIVIR AB (SE) 2006-08-31 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 (7 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-20100075911-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 HSD17B10 3446/4885SMN1; SMN2 537/4885ALDH1A1 4592/4885
US-20110301151-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 HSD17B10 3446/4885SMN1; SMN2 537/4885ALDH1A1 4592/4885
US-20140329823-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 HSD17B10 3446/4885SMN1; SMN2 537/4885ALDH1A1 4592/4885
US-20160052965-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-20160355547-A1 Dimeric IAP Inhibitors BIRC2, XIAP, BIRC5 HSD17B10 3446/4885SMN1; SMN2 537/4885ALDH1A1 4592/4885
US-20130289042-A1 DIMERIC IAP INHIBITORS BIRC2, XIAP, BIRC5 HSD17B10 3446/4885SMN1; SMN2 537/4885ALDH1A1 4592/4885

“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.