SCHEMBL16623960

SCHEMBL16623960

C=CC(=O)SC1CC(C)(C)N(O)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL16623963 0.75 GAA (0.34) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL16623962 0.73 GAA (0.39) GAAL3MBTL1
SCHEMBL16626782 0.71 TSHR (0.34) ALDH1A1
SCHEMBL16623959 0.69 GAA (0.35) GAAL3MBTL1
SCHEMBL1053833 0.68 GAA (0.44) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL13957887 0.68 ALDH1A1 (0.34) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL1050026 0.68 GAA (0.47) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL16626762 0.68 ALDH1A1 (0.40) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL16626767 0.67 ALDH1A1 (0.49) GAAL3MBTL1KDM4EALDH1A1ALOX15
SCHEMBL16626761 0.66 GAA (0.43) GAAL3MBTL1KDM4EALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052481-B1 USE OF POLYMERIZABLE STABLE RADICALS FOR REDUCING THE SHRINKAGE STRESS OF DENTAL COMPOSITIONS DENTSPLY SIRONA INC (US) 2020-04-08 EP disclosed
US-9931280-B2 Dental composite compositions for reduced shrinkage stress DENTSPLY SIRONA INC. (US) 2018-04-03 US disclosed
US-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE DENTSPLY SIRONA INC. 2015-04-09 US disclosed
WO-2015051217-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE DENTSPLY INTERNATIONAL INC. (US) 2015-04-09 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 (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-20150099821-A1 DENTAL COMPOSITE COMPOSITIONS FOR REDUCED STRESS SHRINKAGE VCL, HSPA4L, GPX4 GAA 3472/4885L3MBTL1 1689/4885KDM4E 998/4885

“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.