SCHEMBL18310048

SCHEMBL18310048

C=C1C(=O)C(Nc2cccc(C(=O)N(C)C)c2O)=C1OCC

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 19/20 0.54
▸ CXCR1 P25024 9/20 0.54
▸ CCR6 P51684 1/20 0.48

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
SCHEMBL18310055 0.82 CCR6 (0.50) CXCR2CXCR1CCR6
SCHEMBL18310058 0.81 CXCR2 (0.46) CXCR2CXCR1CCR6
SCHEMBL14450802 0.81 CXCR2 (0.53) CXCR2CXCR1CCR6
SCHEMBL14450117 0.79 CXCR2 (0.55) CXCR2CXCR1
SCHEMBL14450755 0.78 CXCR2 (0.54) CXCR2CXCR1CCR6
SCHEMBL18310050 0.77 CXCR2 (0.44) CXCR2CXCR1CCR6
SCHEMBL1707274 0.77 CXCR2 (0.66) CXCR2CXCR1CCR6
SCHEMBL14511107 0.76 CXCR2 (0.56) CXCR2CXCR1CCR6
SCHEMBL13479523 0.76 CXCR2 (0.53) CXCR2CXCR1CCR6
SCHEMBL13479554 0.74 CXCR2 (0.69) CXCR2CXCR1CCR6

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-9580412-B2 Disubstituted 3,4-diamino-3-cyclobutene-1,2-dione compounds for use in the treatment of chemokine-mediated diseases GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-02-28 — — US disclosed
US-20160362403-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-12-15 — — 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-20160362403-A1 NOVEL DISUBSTITUTED 3,4-DIAMINO-3-CYCLOBUTENE-1,2-DIONE COMPOUNDS FOR USE IN THE TREATMENT OF CHEMOKINE-MEDIATED DISEASES CCL2, CCR1, CCL11 CXCR2 9/4885CXCR1 10/4885CCR6 21/4885

“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