Sugi Predict

Sugi Predict / Compounds / SCHEMBL22969044

SCHEMBL22969044

SCHEMBL22969044

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)[C@@H](C)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 19/20 0.65
▸ MAGI3 Q5TCQ9 1/20 0.65

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
SCHEMBL30658152 1.00 IL23R (0.65) IL23RMAGI3
SCHEMBL22968944 0.94 IL23R (0.69) IL23RMAGI3
SCHEMBL30658137 0.94 IL23R (0.69) IL23RMAGI3
SCHEMBL22968949 0.92 IL23R (0.67) IL23RMAGI3
SCHEMBL30658133 0.92 IL23R (0.72) IL23R
SCHEMBL30918365 0.91 MAGI3 (0.62) IL23RMAGI3
SCHEMBL30918362 0.91 IL23R (0.69) IL23R
SCHEMBL30658140 0.91 IL23R (0.66) IL23R
SCHEMBL22969246 0.91 IL23R (0.66) IL23R
SCHEMBL26622449 0.89 IL23R (0.66) IL23RMAGI3

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-11793884-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain OHIO STATE INNOVATION FOUNDATION (US) 2023-10-24 — — US disclosed
US-20210038737-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN OHIO STATE INNOVATION FOUNDATION 2021-02-11 — — 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-11793884-B2 Cyclic peptidyl inhibitors of CAL-PDZ binding domain CNBP, CALU, CLSPN IL23R 4090/4885MAGI3 386/4885
US-20210038737-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN CNBP, CALU, CLSPN IL23R 4090/4885MAGI3 386/4885

“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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