SCHEMBL5411479

SCHEMBL5411479

CC(C)C(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ UCHL1 P09936 1/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL13819936 1.00 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL5411482 1.00 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL15113629 0.95 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL12158537 0.95 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL13979660 0.90 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL3796359 0.90 HSD17B10 (0.46) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL13827672 0.85 POLB (0.53) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL8478457 0.84 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL12018731 0.84 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1POLBLMNA
SCHEMBL8478452 0.84 HSD17B10 (0.51) HSD17B10SMN1; SMN2NPC1POLBLMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 — — EP disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 — — US disclosed
US-8563533-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-10-22 — — US disclosed
US-20130150292-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof TRUSTEES OF TUFTS COLLEGE (US) 2013-06-13 — — US disclosed
US-8268880-B2 Soft protease inhibitors and pro-soft forms thereof TRUSTEES OF TUFTS COLLEGE (US) 2012-09-18 — — US disclosed
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 — — US disclosed
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AEGERA THERAPEUTICS, INC. (CA) 2007-05-17 — — US disclosed
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AEGERA THERAPEUTICS, INC. (CA) 2007-05-17 — — US disclosed
US-7173024-B2 Compounds having prolyl oligopeptidase inhibitory activity, methods for their preparation and their use ORION CORPORATION (FI) 2007-02-06 — — US disclosed
EP-1401810-A1 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY, METHODS FOR THEIR PREPARATION AND THEIR USE ORION CORPORATION (FI) 2004-03-31 — — EP disclosed
WO-2003004468-A1 COMPOUNDS HAVING PROLYL OLIGOPEPTIDASE INHIBITORY ACTIVITY, METHODS FOR THEIR PREPARATION AND THEIR USE ORION CORPORATION (FI) 2003-01-16 — — WO 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 (5 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-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A HSD17B10 4439/4885SMN1; SMN2 14/4885NPC1 1929/4885
US-20070112043-A1 Acylated and non-acylated imidazo[2,1-b]-1,3,4,-thiadiazole-2-sulfonamides, and uses thereof AADAC, NAT1, PMP22 HSD17B10 487/4885SMN1; SMN2 8/4885NPC1 1645/4885
US-20130150292-A1 Soft Protease Inhibitors and Pro-Soft Forms Thereof PREP, DPP4, PEPD HSD17B10 3603/4885SMN1; SMN2 1442/4885NPC1 2802/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 HSD17B10 2499/4885SMN1; SMN2 4705/4885NPC1 414/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HSD17B10 2646/4885SMN1; SMN2 4657/4885NPC1 706/4885

“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.

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