SCHEMBL3935100

SCHEMBL3935100

CC(C)(NC(=O)c1cc(Br)c2ccccc2c1OCCOc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 10/20 0.61
KDM4E B2RXH2 1/20 0.45
DRD3 P35462 6/20 0.43
DRD2 P14416 4/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
DRD4 P21917 2/20 0.39

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
SCHEMBL3933661 0.93 CXCR2 (0.58) CXCR2KDM4EDRD3DRD2
SCHEMBL3926642 0.88 CXCR2 (0.51) CXCR2KDM4EDRD3DRD2SIGMAR1
SCHEMBL3925217 0.87 CXCR2 (0.62) CXCR2KDM4E
SCHEMBL3930815 0.83 CXCR2 (0.59) CXCR2KDM4E
SCHEMBL3924407 0.83 CXCR2 (0.48) CXCR2DRD3DRD2SIGMAR1
SCHEMBL3926118 0.82 CXCR2 (0.74) CXCR2KDM4E
SCHEMBL3933303 0.82 CXCR2 (0.62) CXCR2KDM4E
SCHEMBL3925937 0.80 CXCR2 (0.65) CXCR2KDM4E
SCHEMBL485243 0.80 CXCR2 (0.45) CXCR2KDM4EDRD3ALDH1A1
SCHEMBL3935257 0.80 CXCR2 (0.70) CXCR2KDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US claimed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US claimed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP claimed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO claimed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 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-20090227625-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885KDM4E 3853/4885DRD3 3389/4885

“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.