SCHEMBL485483

SCHEMBL485483

COC(=O)C(C)(C)NC(=O)c1ccc2ccccc2c1OCc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.53
RAB9A P51151 2/20 0.47
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL485384 0.91 CXCR2 (0.59) CXCR2RAB9AMAPTTP53LMNA
SCHEMBL485103 0.84 CXCR2 (0.48) CXCR2RAB9AMAPTLMNAALDH1A1
SCHEMBL27713070 0.84 CXCR2 (0.61) CXCR2RAB9AMAPTTP53LMNA
SCHEMBL485119 0.82 CXCR2 (0.61) CXCR2RAB9AMAPTLMNAALDH1A1
SCHEMBL3927704 0.81 CXCR2 (0.54) CXCR2RAB9AMAPTLMNAALDH1A1
SCHEMBL484941 0.81 CXCR2 (0.60) CXCR2RAB9AMAPTLMNAALDH1A1
SCHEMBL485248 0.81 CXCR2 (0.62) CXCR2MAPTLMNAALDH1A1GAA
SCHEMBL485500 0.81 CXCR2 (0.60) CXCR2MAPTLMNAALDH1A1GAA
SCHEMBL485192 0.81 CXCR2 (0.50) CXCR2RAB9AMAPTLMNAALDH1A1
SCHEMBL485155 0.80 CXCR2 (0.51) CXCR2RAB9AMAPTLMNAALDH1A1

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 1/4885RAB9A 1404/4885MAPT 4665/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885RAB9A 1404/4885MAPT 4665/4885

“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.