SCHEMBL20283327

SCHEMBL20283327

CC(=O)N[C@H]1CSC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 4/20 0.49
▸ OPRD1 P41143 4/20 0.44
▸ OPRK1 P41145 3/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ WDR5 P61964 2/20 0.43
▸ CAPN2 P17655 4/20 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
SCHEMBL29875639 0.77 KDM1A (0.43) KLK7OPRD1OPRK1OPRM1WDR5
SCHEMBL16021609 0.74 SOAT2 (0.43) —
SCHEMBL3124456 0.74 GAA (0.51) —
SCHEMBL17867151 0.74 GAA (0.51) —
SCHEMBL2864427 0.74 GAA (0.51) —
SCHEMBL22916085 0.74 OPRM1 (0.42) OPRD1OPRK1OPRM1
SCHEMBL13507255 0.72 OPRK1 (0.49) KLK7OPRD1OPRK1OPRM1
SCHEMBL21973546 0.72 KEAP1 (0.42) OPRD1OPRK1OPRM1KEAP1
SCHEMBL16023827 0.72 KEAP1 (0.42) OPRD1OPRK1OPRM1KEAP1
SCHEMBL21973224 0.71 TEAD4 (0.44) KLK7OPRD1OPRK1OPRM1KEAP1

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 2 patents. 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
US-20180170889-A1 Simplified Structural Mimetics of AIPS as Quorum Sensing Inhibitors WISCONSIN ALUMNI RESEARCH FOUNDATION 2018-06-21 — — 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 (2 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 KLK7 3376/4885OPRD1 4315/4885OPRK1 3584/4885
US-20180170889-A1 Simplified Structural Mimetics of AIPS as Quorum Sensing Inhibitors AIP, AIPL1, CGAS KLK7 3376/4885OPRD1 4315/4885OPRK1 3584/4885

“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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