SCHEMBL6277982

SCHEMBL6277982

CCCCCCCCCCCCCC(CSCC(CCCCCCCCCCCCC)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.58
GRIK2 Q13002 2/20 0.58
CA2 P00918 2/20 0.55
MAPK1 P28482 1/20 0.55
SLC1A2 P43004 2/20 0.55
SLC1A1 P43005 2/20 0.55
GPR84 Q9NQS5 6/20 0.53
FFAR1 O14842 1/20 0.53
MAPT P10636 1/20 0.52
LCK P06239 1/20 0.52
PPARD Q03181 1/20 0.52
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
CPB2 Q96IY4 1/20 0.50
ACE2 Q9BYF1 1/20 0.48
SLC1A3 P43003 1/20 0.47
CHRM1 P11229 1/20 0.46
AKR1A1 P14550 1/20 0.46
CHRM3 P20309 1/20 0.46
HTR2A P28223 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
SCHEMBL6287025 1.00 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL6286836 1.00 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL6278792 1.00 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL9107252 0.92 GPR84 (0.55) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL9108768 0.91 GRIK1 (0.53) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL9108697 0.91 GRIK1 (0.53) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL9110679 0.91 GRIK1 (0.53) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL2700664 0.88 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL14353405 0.88 GRIK1 (0.58) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL25286597 0.85 GRIK1 (0.68) GRIK1GRIK2CA2MAPK1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864381-B2 Process for preparing acyloxybenzenesulfonates CLARIANT GMBH (DE) 2005-03-08 US disclosed
US-20040198995-A1 Process for preparing acyloxybenzenesulfonates CLARIANT GMBH 2004-10-07 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-20040198995-A1 Process for preparing acyloxybenzenesulfonates TST, TYR, ACMSD GRIK1 3918/4885GRIK2 3404/4885CA2 3144/4885

“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.