SCHEMBL485009

SCHEMBL485009

COC(=O)C(C)(C)NC(=O)c1cc(Br)c2ccccc2c1OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.50
▸ DRD3 P35462 5/20 0.46
▸ PTPN1 P18031 2/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ MAOB P27338 2/20 0.39
▸ SENP5 Q96HI0 1/20 0.39
▸ SENP2 Q9HC62 1/20 0.39
▸ SENP1 Q9P0U3 1/20 0.39
▸ ADAM17 P78536 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 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
SCHEMBL484949 0.91 CXCR2 (0.55) CXCR2DRD3PTPN1MRGPRX4MAOB
SCHEMBL485469 0.89 CXCR2 (0.51) CXCR2PTPN1MRGPRX4MAOBSENP5
SCHEMBL27693289 0.85 CXCR2 (0.57) CXCR2DRD3PTPN1MRGPRX4MAOB
SCHEMBL23461516 0.81 CXCR2 (0.47) CXCR2DRD3PTPN1MRGPRX4MAOB
SCHEMBL23461518 0.81 CXCR2 (0.47) CXCR2DRD3PTPN1MRGPRX4MAOB
SCHEMBL485080 0.80 CXCR2 (0.56) CXCR2PTPN1MRGPRX4MAOBSENP5
SCHEMBL485243 0.80 CXCR2 (0.45) CXCR2DRD3MRGPRX4
SCHEMBL485692 0.80 MRGPRX4 (0.55) CXCR2MRGPRX4MAOBSENP5SENP2
SCHEMBL3924407 0.78 CXCR2 (0.48) CXCR2DRD3SIGMAR1DRD2
SCHEMBL485483 0.76 CXCR2 (0.53) CXCR2MAOBDRD4

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 1/4885DRD3 1576/4885PTPN1 116/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885DRD3 1576/4885PTPN1 116/4885

“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.

Send feedback