Sugi Predict

Sugi Predict / Compounds / SCHEMBL23366189

SCHEMBL23366189

SCHEMBL23366189

O=C(C[C@@H](NC(=O)[C@@H](CC(=O)N[C@H](CS(=O)(=O)O)C(=O)O)NC(=O)[C@@H](CC(=O)N[C@H](CS(=O)(=O)O)C(=O)O)NC(=O)[C@@H](CC(=O)N[C@H](CS(=O)(=O)O)C(=O)O)NC(=O)[C@H]1C[C@@H](C(=O)C(=O)OCc2ccccc2)C[C@@H](C(=O)C(=O)OCc2ccccc2)C1)C(=O)O)N[C@H](CS(=O)(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.36
▸ REN P00797 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MME P08473 2/20 0.35
▸ ECE1 P42892 2/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ CASP9 P55211 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ CASP2 P42575 1/20 0.33
▸ CASP4 P49662 1/20 0.33
▸ CASP5 P51878 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
SCHEMBL23366221 1.00 PSMB5 (0.36) PSMB5RENLMNATDP1MME
SCHEMBL24180261 0.97 PSMB5 (0.34) PSMB5RENLMNATDP1MME
SCHEMBL23366182 0.90 PSMB5 (0.34) PSMB5RENLMNAMMEECE1
SCHEMBL23366239 0.83 CTSS (0.35) PSMB5S1PR1ALDH1A1MMP9CYP3A4
SCHEMBL23366166 0.82 CASP1 (0.47) LMNATDP1MMEECE1CASP1
SCHEMBL23366204 0.81 ALDH1A1 (0.34) PSMB5S1PR1ALDH1A1MMP9CYP3A4
SCHEMBL23366217 0.77 MMP13 (0.40) PSMB5RENMMEECE1MMP9
SCHEMBL23366160 0.76 CASP3 (0.41) MMEECE1FOLH1CASP1CASP3
SCHEMBL23366213 0.74 ENPEP (0.30) —
SCHEMBL23366190 0.71 MMP13 (0.39) MMEECE1CASP3

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-11007274-B2 Compounds for medicinal applications AusVir Therapeutics Pty Ltd (AU) 2021-05-18 — — 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-11007274-B2 Compounds for medicinal applications HAVCR2, ENGASE, DNPEP PSMB5 4581/4885REN 1340/4885LMNA 1435/4885

“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.