SCHEMBL22916013

SCHEMBL22916013

CC(=O)N[C@H]1CSC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](CC2CCCCC2)NC(=O)COCCOCCNC1=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 5/20 0.36
▸ MMP2 P08253 5/20 0.36
▸ MMP3 P08254 5/20 0.36
▸ MMP9 P14780 5/20 0.36
▸ MMP8 P22894 5/20 0.36
▸ IDE P14735 8/20 0.35
▸ PSMB5 P28074 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ REN P00797 1/20 0.33
▸ MLNR O43193 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33

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
SCHEMBL20283589 0.93 IDE (0.41) IDEMEN1OPRM1OPRD1OPRK1
SCHEMBL20283427 0.92 IDE (0.40) IDEMEN1OPRM1OPRD1OPRK1
SCHEMBL24917456 0.92 CTSS (0.34) MMP1MMP2MMP3MMP9MMP8
SCHEMBL22916032 0.92 GHSR (0.35) MMP1MMP2MMP3MMP9MMP8
SCHEMBL24917527 0.91 CTSS (0.34) MMP1MMP2MMP3MMP9MMP8
SCHEMBL24917256 0.86 OPRM1 (0.39) MMP1MMP2MMP3MMP9MMP8
SCHEMBL20283426 0.86 GHSR (0.39) IDEMEN1MLNR
SCHEMBL20283646 0.86 IDE (0.34) IDEPSMB5MEN1MLNRCTSS
SCHEMBL20283428 0.85 GHSR (0.34) IDEPSMB5MLNRCTSSOPRM1
SCHEMBL22916085 0.85 OPRM1 (0.42) OPRM1OPRD1OPRK1

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-20210024476-A1 Simplified Structural Mimetics of AIPS as Quorum Sensing Inhibitors WISCONSIN ALUMNI RESEARCH FOUNDATION 2021-01-28 — — 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-20210024476-A1 Simplified Structural Mimetics of AIPS as Quorum Sensing Inhibitors AIP, AIPL1, CGAS MMP1 1820/4885MMP2 916/4885MMP3 1665/4885

“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.

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