SCHEMBL20008648

SCHEMBL20008648

N=C(N)NCCC[C@@H](C=O)NS(=O)(=O)c1ccc(NC(=O)CCCC(=O)NC(CCC(=O)O)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.43
MMP8 P22894 4/20 0.43
MMP2 P08253 3/20 0.43
MMP12 P39900 3/20 0.43
MMP14 P50281 3/20 0.43
FOLH1 Q04609 9/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
MMP13 P45452 1/20 0.40
ADAMTS4 O75173 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
F2 P00734 1/20 0.38

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
SCHEMBL20008655 0.88 ITGB3 (0.41) MMP9MMP8MMP2MMP12MMP14
SCHEMBL20008649 0.87 MMP9 (0.46) MMP9MMP8MMP2MMP12MMP14
SCHEMBL20008646 0.76 ITGB3 (0.43) MMP9MMP8MMP2MMP12MMP14
SCHEMBL20012060 0.76 ITGB3 (0.38) MMP9MMP8MMP2MMP12MMP14
SCHEMBL18720249 0.76 CASP3 (0.40) MMP9MMP8MMP2MMP12MMP14
SCHEMBL13165330 0.75 NOD1 (0.44) FOLH1
SCHEMBL12664921 0.75 NOD1 (0.44) FOLH1
SCHEMBL12664935 0.75 NOD1 (0.44) FOLH1
SCHEMBL20008694 0.74 ITGB3 (0.59) FOLH1ITGB3ITGA2B
SCHEMBL7415627 0.74 ITGB3 (0.49) MMP2CA1CA2ITGB3ITGA2B

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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 MMP9 521/4885MMP8 731/4885MMP2 538/4885

“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.