SCHEMBL247336

SCHEMBL247336

Cc1coc(CNc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.74
CXCR1 P25024 12/20 0.67
CCR6 P51684 1/20 0.57

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
SCHEMBL248850 0.87 CXCR2 (0.72) CXCR2CXCR1
SCHEMBL247335 0.85 CXCR2 (1.00) CXCR2CXCR1CCR6
SCHEMBL14453379 0.84 CXCR2 (0.73) CXCR2CXCR1CCR6
SCHEMBL20865603 0.82 CXCR2 (0.73) CXCR2CXCR1CCR6
SCHEMBL18870051 0.82 CXCR2 (0.66) CXCR2CXCR1CCR6
SCHEMBL12262726 0.81 CXCR2 (0.68) CXCR2CXCR1CCR6
SCHEMBL14100379 0.81 CXCR2 (0.69) CXCR2CXCR1
SCHEMBL12626164 0.81 CXCR2 (0.78) CXCR2CXCR1
SCHEMBL14453604 0.81 CXCR2 (0.81) CXCR2CXCR1
SCHEMBL12262212 0.81 CXCR2 (1.00) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588092-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA Galderma Research & Development (FR) 2013-05-08 EP claimed
WO-2012001076-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-05 WO claimed
US-20130231393-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-09-05 US disclosed
EP-2588092-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA Galderma Research & Development (FR) 2013-05-08 EP disclosed
EP-1539678-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1, 2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2012-09-05 EP disclosed
WO-2012001076-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-05 WO 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-20130231393-A1 USE OF SQUARAMIDE IN THE PREVENTION AND/OR TREATMENT OF ROSACEA AQP3, SUCNR1, AQP1 CXCR2 3127/4885CXCR1 1617/4885CCR6 3148/4885

“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.