SCHEMBL4523472

SCHEMBL4523472

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc2ccccc2c1OCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 3/20 0.56
ELANE P08246 4/20 0.53
ITGB1 P05556 2/20 0.51
ITGA4 P13612 1/20 0.51
ITGB3 P05106 3/20 0.48
ITGA2B P08514 2/20 0.48
GPR132 Q9UNW8 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PPARG P37231 2/20 0.46
CAPN1 P07384 1/20 0.45
CTSB P07858 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA5 P08648 1/20 0.45
FTO Q9C0B1 2/20 0.45

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
SCHEMBL4523475 1.00 CXCR2 (0.56) CXCR2ELANEITGB1ITGA4ITGB3
SCHEMBL4522750 0.93 CXCR2 (0.57) CXCR2ELANEITGB1ITGA4ITGB3
SCHEMBL4522743 0.93 CXCR2 (0.57) CXCR2ELANEITGB1ITGA4ITGB3
SCHEMBL4534602 0.90 ELANE (0.53) CXCR2ELANEITGB1ITGA4ITGB3
SCHEMBL4534596 0.90 ELANE (0.53) CXCR2ELANEITGB1ITGA4ITGB3
SCHEMBL25548856 0.88 ELANE (0.55) CXCR2ELANEGPR132MEN1KMT2A
SCHEMBL4521889 0.85 ALDH1A1 (0.51) CXCR2ELANEITGB1ITGA4ITGB3
SCHEMBL4521881 0.85 ALDH1A1 (0.51) CXCR2ELANEITGB1ITGA4ITGB3
SCHEMBL4536055 0.85 CXCR2 (0.59) CXCR2ELANEITGB1ITGA4ITGB3
SCHEMBL25549035 0.85 ELANE (0.48) CXCR2ELANEITGB1ITGA4ITGB3

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
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

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 1/4885ELANE 245/4885ITGB1 989/4885

“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.