SCHEMBL20732789

SCHEMBL20732789

CCOc1c(Nc2cccc(C(O)N(C)C)c2O)c(=O)c1=O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.60
▸ POLB P06746 1/20 0.44
▸ CXCR2 P25025 16/20 0.42
▸ CXCR1 P25024 10/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CCR6 P51684 1/20 0.38

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
SCHEMBL14894844 0.86 GAA (0.64) GAAPOLBCXCR2CXCR1MAPT
SCHEMBL12914115 0.80 GAA (0.68) GAAPOLBCXCR2CXCR1MAPT
SCHEMBL20721181 0.79 GAA (0.67) GAAPOLBCXCR2CXCR1MAPT
SCHEMBL20761208 0.79 GAA (0.60) GAAPOLBCXCR2CXCR1MAPT
SCHEMBL1707274 0.79 CXCR2 (0.66) GAACXCR2CXCR1CCR6
SCHEMBL18310046 0.78 GAA (0.58) GAAPOLBCXCR2CXCR1MAPT
SCHEMBL12261147 0.77 CXCR2 (0.63) GAACXCR2CXCR1CCR6
SCHEMBL14896251 0.77 GAA (0.61) GAAPOLBCXCR2CXCR1MAPT
SCHEMBL9979964 0.77 GAA (0.64) GAACXCR2CXCR1MAPT
SCHEMBL20760855 0.77 GAA (0.64) GAAPOLBCXCR2CXCR1MAPT

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-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 — — US 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 (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-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof IL17A, TSLP, SSB GAA 3569/4885POLB 2098/4885CXCR2 303/4885
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB GAA 3569/4885POLB 2098/4885CXCR2 303/4885

“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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