SCHEMBL485246

SCHEMBL485246

O=C(O)c1ccc2ccccc2c1OCc1ccc(OCC(F)(F)F)nc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
CXCR2 P25025 1/20 0.47
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.40
EPHX2 P34913 2/20 0.40
SCN9A Q15858 4/20 0.39
SLC2A1 P11166 2/20 0.38
DGAT1 O75907 2/20 0.38
SYK P43405 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
WDR5 P61964 1/20 0.37
LDHA P00338 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTGES O14684 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
SCHEMBL484817 0.86 CXCR2 (0.56) L3MBTL1CXCR2POLBMAPK1EPHX2
SCHEMBL1598461 0.86 CXCR2 (0.49) CXCR2MAPK1MRGPRX4SYKWDR5
SCHEMBL485129 0.84 CXCR2 (0.43) CXCR2POLBMAPK1WDR5LDHA
SCHEMBL485100 0.84 CXCR2 (0.58) L3MBTL1CXCR2POLBMAPK1EPHX2
SCHEMBL485155 0.83 CXCR2 (0.51) L3MBTL1CXCR2POLBMAPK1EPHX2
SCHEMBL11782233 0.83 SLC2A1 (0.50) L3MBTL1CXCR2SLC2A1NPSR1WDR5
SCHEMBL485533 0.81 CXCR2 (0.53) L3MBTL1CXCR2POLBMAPK1EPHX2
SCHEMBL3926072 0.81 CXCR2 (0.66) CXCR2MRGPRX4WDR5LDHA
SCHEMBL4585638 0.77 CXCR2 (0.45) CXCR2MAPK1MRGPRX4SYK
SCHEMBL1681386 0.77 WDR5 (0.53) L3MBTL1CXCR2MRGPRX4WDR5LDHA

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 7 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

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 L3MBTL1 2613/4885CXCR2 1/4885POLB 3166/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 L3MBTL1 2613/4885CXCR2 1/4885POLB 3166/4885

“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.