SCHEMBL22969142

SCHEMBL22969142

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

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 20/20 0.61

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
SCHEMBL22969036 1.00 IL23R (0.61) IL23R
SCHEMBL30658135 1.00 IL23R (0.61) IL23R
SCHEMBL21216245 0.98 IL23R (0.61) IL23R
SCHEMBL26622850 0.98 IL23R (0.59) IL23R
SCHEMBL26622772 0.98 IL23R (0.59) IL23R
SCHEMBL22969246 0.97 IL23R (0.66) IL23R
SCHEMBL30658140 0.97 IL23R (0.66) IL23R
SCHEMBL30658136 0.94 IL23R (0.67) IL23R
SCHEMBL30658146 0.94 IL23R (0.68) IL23R
SCHEMBL22969247 0.94 IL23R (0.68) IL23R

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 4090/4885
US-20210038737-A1 CYCLIC PEPTIDYL INHIBITORS OF CAL-PDZ BINDING DOMAIN CNBP, CALU, CLSPN IL23R 4090/4885

“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.

Send feedback