SCHEMBL485524

SCHEMBL485524

Cc1cc(COc2c(C(=O)NC(C)(C)C(=O)O)cc(Cl)c3ccccc23)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
CXCR2 P25025 6/20 0.45
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.36
CYP2D6 P10635 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
NMT1 P30419 1/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
AKR1C3 P42330 2/20 0.35
SHMT1 P34896 1/20 0.35

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
SCHEMBL485363 0.83 KDM4E (0.55) KDM4ECXCR2SMN1; SMN2MRGPRX4DRD2
SCHEMBL485638 0.81 KDM4E (0.53) KDM4ECXCR2CYP1A2CYP2C19NPC1
SCHEMBL485887 0.81 KDM4E (0.53) KDM4ECXCR2NPC1RAB9AMRGPRX4
SCHEMBL485344 0.80 KDM4E (0.52) KDM4ECXCR2MRGPRX4GAALMNA
SCHEMBL5180671 0.78 KDM4E (0.54) KDM4ECXCR2SMN1; SMN2MRGPRX4DRD2
SCHEMBL485765 0.78 KDM4E (0.52) KDM4ECXCR2MRGPRX4DRD2DRD3
SCHEMBL485555 0.77 KDM4E (0.53) KDM4ECXCR2MRGPRX4DRD2DRD3
SCHEMBL484141 0.77 KDM4E (0.53) KDM4ECXCR2MRGPRX4DRD2DRD3
SCHEMBL485152 0.77 KDM4E (0.53) KDM4ECXCR2MRGPRX4DRD2DRD3
SCHEMBL485631 0.77 KDM4E (0.53) KDM4ECXCR2MRGPRX4DRD2DRD3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US 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
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-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-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-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

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 3892/4885CXCR2 1/4885CYP1A2 1405/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3892/4885CXCR2 1/4885CYP1A2 1405/4885

“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.