SCHEMBL2054728

SCHEMBL2054728

CC(C)(C)OC(=O)N1CCC[C@H]1/C=N/[S+]([O-])C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
UCHL1 P09936 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL17819720 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL17819722 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL17819530 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL17819527 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL17819531 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL17820403 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL17819724 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL2056396 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL17819812 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1
SCHEMBL17820406 1.00 HSD17B10 (0.41) HSD17B10LMNANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899294-B1 THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2015-03-18 EP disclosed
EP-1899294-B1 THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2015-03-18 EP disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 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 (1 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 HSD17B10 1681/4885LMNA 3470/4885NPSR1 435/4885

“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.