SCHEMBL485408

SCHEMBL485408

CC(C)(NC(=O)c1cc(F)c2ccccc2c1OCc1nc2ccccc2s1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
CXCR2 P25025 3/20 0.45
ALOX5 P09917 3/20 0.43
EPHX2 P34913 3/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SCN9A Q15858 2/20 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
SCHEMBL485190 0.92 PTGER4 (0.46) NPC1CXCR2ALOX5EPHX2RAB9A
SCHEMBL485301 0.91 CXCR2 (0.48) CXCR2ALOX5EPHX2MAPTSCN9A
SCHEMBL485502 0.90 NPC1 (0.44) NPC1CXCR2ALOX5EPHX2HTT
SCHEMBL485211 0.90 NPC1 (0.44) NPC1CXCR2ALOX5EPHX2HTT
SCHEMBL485209 0.90 NPC1 (0.44) NPC1CXCR2ALOX5EPHX2HTT
SCHEMBL485193 0.89 KDM4E (0.52) NPC1CXCR2ALOX5EPHX2HTT
SCHEMBL485013 0.86 CXCR2 (0.51) NPC1CXCR2ALOX5EPHX2HTT
SCHEMBL485308 0.83 CXCR2 (0.64) NPC1CXCR2ALOX5EPHX2HTT
SCHEMBL485082 0.82 CXCR2 (0.56) NPC1CXCR2RAB9AKMT2AMEN1
SCHEMBL485608 0.81 CXCR2 (0.51) NPC1CXCR2CYP1A2CYP2C19MAPK1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US claimed
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN claimed
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 claimed
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 claimed
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
US-8283479-B2 CXCR2 inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-09 US disclosed
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-20110184177-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-07-28 US 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
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
CN-101094830-A Fused bicyclic carboxamide derivatives for use as CXCR2 inhibitors in the treatment of inflammation SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-26 CN 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 NPC1 1259/4885CXCR2 1/4885ALOX5 2522/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 NPC1 1259/4885CXCR2 1/4885ALOX5 2522/4885

“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.