SCHEMBL20008646

SCHEMBL20008646

CNCCCCCC(=O)NC(CCCCNC(=O)CCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)CCl)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
MMP2 P08253 10/20 0.43
MMP9 P14780 10/20 0.43
MMP8 P22894 5/20 0.43
MMP12 P39900 5/20 0.43
MMP14 P50281 5/20 0.43
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
MMP13 P45452 2/20 0.41
ITGB1 P05556 1/20 0.39
ITGA5 P08648 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
PLAU P00749 1/20 0.37
HPN P05981 1/20 0.37
ALB P02768 1/20 0.37
CA9 Q16790 1/20 0.37
NOD1 Q9Y239 1/20 0.37

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 0.89 ITGB3 (0.41) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL20008649 0.88 MMP9 (0.46) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL20008696 0.81 ITGB3 (0.52) ITGB3ITGA2BNOD1
SCHEMBL20008648 0.76 MMP9 (0.43) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL18720220 0.73 ITGB3 (0.47) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL9293208 0.70 ITGB3 (0.71) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL1509767 0.70 ITGB3 (0.71) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL1509766 0.70 ITGB3 (0.71) ITGB3ITGA2BMMP2MMP9MMP8
SCHEMBL6347006 0.69 ITGB3 (0.65) ITGB3ITGA2BMMP2MMP9MMP8
Hydrochloric Acid SCHEMBL7362847 0.69 ITGB3 (0.70) ITGB3ITGA2BMMP2MMP9MMP8

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 ITGB3 2592/4885ITGA2B 2485/4885MMP2 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.