SCHEMBL18219230

SCHEMBL18219230

CC(=O)[C@H](C)OC(=O)C[C@H](O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
TET2 Q6N021 6/20 0.39
TET3 O43151 2/20 0.39
TET1 Q8NFU7 1/20 0.39
OR51E2 Q9H255 1/20 0.36
TP53 P04637 1/20 0.35
GPR84 Q9NQS5 3/20 0.32
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
FFAR1 O14842 1/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL16928435 1.00 SMN1; SMN2 (0.44) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL305578 0.83 SMN1; SMN2 (0.48) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL18207185 0.78 SMN1; SMN2 (0.36) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL18206583 0.78 SMN1; SMN2 (0.36) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL18206584 0.78 SMN1; SMN2 (0.36) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL7770223 0.78 OR51E2 (0.44) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL25375746 0.76 MMP1 (0.40) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL18219117 0.76 MMP1 (0.44) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL18915843 0.76 GPR84 (0.40) SMN1; SMN2MMP1MMP2MMP3MMP9
SCHEMBL28275674 0.76 MMP1 (0.52) SMN1; SMN2MMP1MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-08 US disclosed
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2017-06-01 US disclosed
US-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE CURIA BUFFALO R&D, LLC 2016-11-10 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 (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-20160326182-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 SMN1; SMN2 252/4885MMP1 1914/4885MMP2 618/4885
US-20170157116-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 SMN1; SMN2 252/4885MMP1 1914/4885MMP2 618/4885
US-20170151232-A1 METHODS AND COMPOSITIONS FOR PREVENTING OPIOID ABUSE OPRM1, OPRK1, OPRD1 SMN1; SMN2 252/4885MMP1 1914/4885MMP2 618/4885

“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.