SCHEMBL24755260

SCHEMBL24755260

CN(C)S(=O)(=O)c1cccc(Nc2c(N[C@@H]3CCCc4ccccc43)c(=O)c2=O)c1O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 14/20 0.73
▸ CXCR2 P25025 4/20 0.61
▸ CXCR1 P25024 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
SCHEMBL20721180 0.84 CCR6 (1.00) CCR6
SCHEMBL20721179 0.84 CCR6 (1.00) CCR6
SCHEMBL20721281 0.82 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL12262467 0.82 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL12087174 0.82 CCR6 (1.00) CCR6CXCR2CXCR1
SCHEMBL20721136 0.82 CCR6 (1.00) CCR6
SCHEMBL24755261 0.81 CCR6 (0.74) CCR6CXCR2CXCR1
SCHEMBL13479448 0.79 CCR6 (0.78) CCR6CXCR2
SCHEMBL12262523 0.76 CXCR2 (1.00) CCR6CXCR2CXCR1
SCHEMBL20761373 0.73 CCR6 (0.71) CCR6CXCR2

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-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 (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-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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