SCHEMBL485086

SCHEMBL485086

COC(=O)C1(NC(=O)c2ccc3ccccc3c2OCC2COc3ccccc3O2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.45
ADRA1D P25100 5/20 0.45
ADRA1A P35348 5/20 0.45
ADRA1B P35368 5/20 0.45
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
PTGIR P43119 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.38
TACR2 P21452 1/20 0.38
MTNR1A P48039 1/20 0.38
DRD2 P14416 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
HTR1A P08908 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL485001 0.91 CXCR2 (0.55) CXCR2ADRA1DADRA1AADRA1BLMNA
SCHEMBL485526 0.82 ADRA1D (0.52) ADRA1DADRA1AADRA1BLMNAKDM4E
SCHEMBL485821 0.81 TSHR (0.53) ADRA1DADRA1AADRA1BLMNAKDM4E
SCHEMBL484978 0.79 L3MBTL1 (0.48) ADRA1DADRA1AADRA1BLMNAKDM4E
SCHEMBL485457 0.79 CXCR2 (0.50) CXCR2ADRA1DADRA1AADRA1BLMNA
SCHEMBL484990 0.77 CXCR2 (0.51) CXCR2ADRA1DADRA1AADRA1BLMNA
SCHEMBL485604 0.75 CXCR2 (0.51) CXCR2LMNAKDM4EGAAPOLB
SCHEMBL485157 0.72 CXCR2 (0.50) CXCR2HPGDPOLB
SCHEMBL10290187 0.70 KMT2A (0.49) CXCR2LMNAKDM4EGAAPOLB
SCHEMBL485562 0.69 CXCR2 (0.64) CXCR2TACR2CYP2C9

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 8 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
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP disclosed
US-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US disclosed
US-7919628-B2 2-[(1-Benzyloxy-naphthalene-2-carbonyl)-amino]-2-methyl-propionic acid; inhibitors of chemokine receptors; treatment or prophylaxis of acute and chronic inflammatory diseases such as atherosclerosis, ischemic or reperfusion injuries, chronic obstructive pulmonary disease, asthma, rheumatoid arthritis SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-04-05 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
EP-1836158-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION Sanofi-Aventis Deutschland GmbH (DE) 2007-09-26 EP disclosed
WO-2006069656-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 WO disclosed
EP-1676834-A1 Fused bicyclic carboxamide derivates for use as CXCR2 inhibitors in the treatment of inflammation Sanofi-Aventis Deutschland GmbH (DE) 2006-07-05 EP 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 (2 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 1/4885ADRA1D 361/4885ADRA1A 634/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885ADRA1D 361/4885ADRA1A 634/4885

“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.