SCHEMBL4119689

SCHEMBL4119689

C=C(CCCCCS(=O)(=O)O)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
LMNA P02545 1/20 0.34
SLC6A6 P31641 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
EPHX2 P34913 1/20 0.33
PTGS1 P23219 1/20 0.30
PDE4A P27815 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
SCHEMBL1567185 1.00 APP (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL1567658 1.00 APP (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL1031382 1.00 APP (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL1567257 1.00 APP (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL1028935 0.98 APP (0.43) APPLMNASLC6A6CYP2C19BLM
SCHEMBL7529214 0.96 APP (0.41) APPLMNASLC6A6CYP2C19BLM
SCHEMBL1029720 0.92 APP (0.44) APPLMNASLC6A6CYP2C19BLM
SCHEMBL7534292 0.90 APP (0.43) APPLMNASLC6A6CYP2C19BLM
SCHEMBL999988 0.83 LMNA (0.40) APPLMNASLC6A6CYP2C19BLM
SCHEMBL1858134 0.82 LMNA (0.38) LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864645-B1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES KURARAY NORITAKE DENTAL INC (JP) 2013-05-22 EP disclosed
US-20090068123-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES KURARAY MEDICAL INC (JP) 2009-03-12 US disclosed
US-20080182919-A1 Dental Restorative Composition SUN MEDICAL CO., LTD. (JP) 2008-07-31 US disclosed
EP-1864645-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES Kuraray Medical Inc. (JP) 2007-12-12 EP disclosed
EP-1854447-A1 DENTAL RESTORATION MATERIAL COMPOSITION SUN MEDICAL CO., LTD. (JP) 2007-11-14 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 (2 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-20080182919-A1 Dental Restorative Composition PARG, PARN, FHIT APP 2532/4885LMNA 682/4885SLC6A6 4370/4885
US-20090068123-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES ITGA5, ITGAL, PHOSPHO1 APP 1246/4885LMNA 1908/4885SLC6A6 585/4885

“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.