SCHEMBL22274658

SCHEMBL22274658

CCCCCCC(CCCC)C(=O)C(C)(C)Br

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.55
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
GPR84 Q9NQS5 7/20 0.46
MAPK1 P28482 1/20 0.45
GRIK1 P39086 1/20 0.44
GRIK2 Q13002 1/20 0.44
CA1 P00915 1/20 0.44
FFAR1 O14842 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
FDPS P14324 1/20 0.43
MAPT P10636 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL19388616 0.98 CA2 (0.52) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL13246773 0.83 CA2 (0.59) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL12324209 0.82 GPR84 (0.57) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL25834794 0.81 CA2 (0.55) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL19388762 0.81 CA2 (0.55) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL19245747 0.81 CA2 (0.55) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL26304628 0.81 CA2 (0.55) CA2LCKPPARDZDHHC20ZDHHC2
SCHEMBL23583802 0.80 CA2 (0.55) CA2GPR84MAPK1GRIK1GRIK2
SCHEMBL21567388 0.78 CA2 (0.52) CA2GPR84GRIK1GRIK2FFAR1
SCHEMBL19388130 0.77 CA2 (0.52) CA2LCKPPARDZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239523-A1 NOVEL a4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2020-07-30 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-20200239523-A1 NOVEL a4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS EPCAM, ITGB7, EPB41 CA2 4344/4885LCK 2838/4885PPARD 3465/4885

“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.