SCHEMBL485251

SCHEMBL485251

CC(C)(C)OC(=O)C(C)(C)NC(=O)c1cc(Cl)c2ccccc2c1OCc1cnc(C(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MRGPRX4 Q96LA9 3/20 0.38
CXCR2 P25025 3/20 0.38
DGAT2 Q96PD7 1/20 0.36
P2RX7 Q99572 7/20 0.36
CNR2 P34972 1/20 0.33
DRD3 P35462 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL485152 0.90 KDM4E (0.53) KDM4EMRGPRX4CXCR2DGAT2P2RX7
SCHEMBL485303 0.81 KDM4E (0.52) KDM4EMRGPRX4CXCR2DGAT2P2RX7
SCHEMBL484141 0.77 KDM4E (0.53) KDM4EMRGPRX4CXCR2DRD3ALDH1A1
SCHEMBL485631 0.77 KDM4E (0.53) KDM4EMRGPRX4CXCR2DRD3ALDH1A1
SCHEMBL485555 0.77 KDM4E (0.53) KDM4EMRGPRX4CXCR2DRD3DRD2
SCHEMBL5179473 0.77 KDM4E (0.51) KDM4EMRGPRX4CXCR2MEN1ALDH1A1
SCHEMBL485692 0.77 MRGPRX4 (0.55) KDM4EMRGPRX4CXCR2
SCHEMBL485765 0.76 KDM4E (0.52) KDM4EMRGPRX4CXCR2P2RX7DRD3
SCHEMBL485691 0.76 CXCR2 (0.44) KDM4EMRGPRX4CXCR2DGAT2P2RX7
SCHEMBL484963 0.76 CXCR2 (0.44) KDM4EMRGPRX4CXCR2DGAT2P2RX7

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 KDM4E 3892/4885MRGPRX4 28/4885CXCR2 1/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3892/4885MRGPRX4 28/4885CXCR2 1/4885

“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.