SCHEMBL30168119

SCHEMBL30168119

CN(C)C(=O)c1cccc(Nc2c(NC(C)(C)C(C)(C)C)c(=O)c2=O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 2/20 1.00
▸ CXCR2 P25025 18/20 0.83
▸ CXCR1 P25024 6/20 0.67
▸ CCR7 P32248 1/20 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
SCHEMBL20732798 1.00 CCR6 (1.00) CCR6CXCR2CXCR1CCR7
SCHEMBL12086722 0.91 CXCR2 (1.00) CCR6CXCR2CXCR1CCR7
SCHEMBL12086812 0.86 CXCR2 (0.78) CCR6CXCR2CXCR1
SCHEMBL12262488 0.86 CXCR2 (0.78) CCR6CXCR2CXCR1
SCHEMBL12262284 0.85 CXCR2 (0.76) CCR6CXCR2CXCR1
SCHEMBL13197595 0.85 CXCR2 (0.76) CCR6CXCR2CXCR1
SCHEMBL14310580 0.85 CXCR2 (0.76) CCR6CXCR2CXCR1CCR7
SCHEMBL2776897 0.84 CXCR2 (0.74) CCR6CXCR2CXCR1
SCHEMBL12570024 0.83 CXCR2 (1.00) CCR6CXCR2CXCR1
SCHEMBL12086675 0.83 CXCR2 (0.78) CCR6CXCR2CXCR1CCR7

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-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2024-12-05 — — US disclosed
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2022-12-22 — — 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-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB CCR6 197/4885CXCR2 303/4885CXCR1 156/4885
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB CCR6 197/4885CXCR2 303/4885CXCR1 156/4885

“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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