SCHEMBL20732821

SCHEMBL20732821

CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC3CCCC34CCCCC4)c(=O)c2=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 20/20 1.00

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
SCHEMBL20732805 0.97 CCR6 (1.00) CCR6
SCHEMBL20721242 0.90 CCR6 (1.00) CCR6
SCHEMBL20721173 0.84 CCR6 (1.00) CCR6
SCHEMBL20721204 0.84 CCR6 (1.00) CCR6
SCHEMBL20721275 0.83 CCR6 (1.00) CCR6
SCHEMBL20760528 0.82 CCR6 (0.69) CCR6
SCHEMBL20721282 0.81 CCR6 (1.00) CCR6
SCHEMBL20721189 0.81 CCR6 (1.00) CCR6
SCHEMBL20721226 0.81 CCR6 (0.68) CCR6
SCHEMBL20721211 0.81 CCR6 (1.00) CCR6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2022-12-22 — — US disclosed
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 — — US disclosed
WO-2019036374-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. (US) 2019-02-21 — — WO disclosed
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2019-02-14 — — 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 (3 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-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof IL17A, TSLP, SSB CCR6 197/4885
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB CCR6 197/4885
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB CCR6 197/4885

“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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