SCHEMBL2169737

SCHEMBL2169737

CCOc1ccc(COc2c(C(=O)NC(C)(C)C(=O)O)ccc3ccccc23)cn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.54
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.38
KLKB1 P03952 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL485169 0.92 CXCR2 (0.52) CXCR2LMNAKDM4EMAPTALDH1A1
SCHEMBL484817 0.91 CXCR2 (0.56) CXCR2MAPK1
SCHEMBL5179601 0.88 CXCR2 (0.54) CXCR2LMNAKDM4EMAPTALDH1A1
SCHEMBL485107 0.87 CXCR2 (0.53) CXCR2LMNAKDM4EMAPTALDH1A1
SCHEMBL485184 0.87 CXCR2 (0.57) CXCR2LMNAKDM4EMAPTALDH1A1
SCHEMBL485248 0.86 CXCR2 (0.62) CXCR2LMNAKDM4EMAPTALDH1A1
SCHEMBL485481 0.86 CXCR2 (0.58) CXCR2LMNAKDM4EMAPTALDH1A1
SCHEMBL485119 0.86 CXCR2 (0.61) CXCR2LMNAKDM4EMAPTALDH1A1
SCHEMBL485325 0.85 CXCR2 (0.51) CXCR2LMNAKDM4EMAPTALDH1A1
SCHEMBL485103 0.85 CXCR2 (0.48) CXCR2LMNAKDM4EMAPTALDH1A1

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-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 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-20110184177-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885LMNA 4616/4885KDM4E 3892/4885

“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.