SCHEMBL248194

SCHEMBL248194

CC[C@@H](Nc1c(Nc2ccc(F)cc2O)c(=O)c1=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 19/20 0.57
CXCR1 P25024 4/20 0.56
CCR6 P51684 1/20 0.54

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
SCHEMBL248014 0.91 CXCR2 (0.57) CXCR2CXCR1CCR6
SCHEMBL245507 0.85 CXCR2 (0.68) CXCR2CXCR1CCR6
SCHEMBL12260603 0.80 CXCR2 (0.61) CXCR2CXCR1CCR6
SCHEMBL20313443 0.79 CXCR2 (0.57) CXCR2CXCR1CCR6
SCHEMBL3790926 0.78 CXCR2 (0.51) CXCR2CXCR1CCR6
SCHEMBL3790925 0.78 CXCR2 (0.51) CXCR2CXCR1CCR6
SCHEMBL13406925 0.78 KCNA5 (0.38) CXCR2CXCR1
SCHEMBL19351864 0.75 CXCR2 (0.61) CXCR2CXCR1CCR6
SCHEMBL20452291 0.75 CXCR2 (0.61) CXCR2CXCR1CCR6
SCHEMBL30515698 0.75 CXCR2 (0.61) 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 5 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
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.