SCHEMBL490891

SCHEMBL490891

CC(C)(C)[Si](C)(C)OCC[C@@H](N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 4/20 0.40
SLC1A3 P43003 3/20 0.40
GRIK1 P39086 4/20 0.39
GRIK2 Q13002 4/20 0.39
GSR P00390 2/20 0.39
SLC7A5 Q01650 1/20 0.39
GRM8 O00222 1/20 0.39
GRM6 O15303 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CYP1A2 P05177 1/20 0.39
GRM5 P41594 1/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39

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
SCHEMBL191236 1.00 NOS3 (0.41) NOS3NOS1NOS2ALDH1A1SLC1A2
SCHEMBL191235 1.00 NOS3 (0.41) NOS3NOS1NOS2ALDH1A1SLC1A2
SCHEMBL28580283 0.90 GSR (0.43) NOS3NOS1NOS2ALDH1A1GSR
SCHEMBL13639864 0.84 SLC1A1 (0.55) SLC1A2SLC1A1SLC1A3GRIK1GRIK2
SCHEMBL19699429 0.83 IDO1 (0.34) SLC1A1
SCHEMBL1067509 0.83 IDO1 (0.34) SLC1A1
SCHEMBL1067514 0.83 IDO1 (0.34) SLC1A1
SCHEMBL30980082 0.83 IDO1 (0.34) SLC1A1
SCHEMBL10314812 0.81 NOS3 (0.38) NOS3NOS1NOS2ALDH1A1SLC1A2
SCHEMBL20591675 0.81 NOS3 (0.38) NOS3NOS1NOS2ALDH1A1SLC1A2

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
US-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 US disclosed
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-21 US disclosed
CN-110959008-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2020-04-03 CN disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
US-8106091-B2 Inhibitors of IKK-beta serine-threonine protein kinase CHROMA THERAPEUTICS LTD. (GB) 2012-01-31 US disclosed
EP-2086956-B1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD (GB) 2011-09-14 EP disclosed
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase CHROMA THERAPEUTICS LTD. (GB) 2010-03-18 US disclosed
EP-2086956-A1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Limited (GB) 2009-08-12 EP disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
US-5326760-A Aminobutanoic acid compounds having metalloprotease inhibiting properties GLAXO, INC. (US) 1994-07-05 US disclosed
WO-1994000119-A1 AMINOBUTANOIC ACID COMPOUNDS HAVING METALLOPROTEASE INHIBITING PROPERTIES GLAXO INC. (US) 1994-01-06 WO disclosed
US-5252560-A Cyclic imide derivatives, compositions and use GLAXO INC. (US) 1993-10-12 US disclosed
EP-0520573-A1 Cyclic imide derivatives GLAXO INC. (US) 1992-12-30 EP 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 (3 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-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL NOS3 4668/4885NOS1 4500/4885NOS2 4597/4885
US-20100069473-A1 Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase IKBKB, IKBKE, CHUK NOS3 150/4885NOS1 296/4885NOS2 611/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL NOS3 4668/4885NOS1 4500/4885NOS2 4597/4885

“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.