SCHEMBL485446

SCHEMBL485446

COc1c(C(=O)O)cc(F)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 6/20 0.46
FABP5 Q01469 5/20 0.46
CDC25B P30305 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MCL1 Q07820 1/20 0.44
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE10A Q9Y233 1/20 0.43
DHODH Q02127 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42

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
SCHEMBL976330 0.81 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10CDC25B
SCHEMBL669832 0.81 THRB (0.61) KDM4EALDH1A1HPGDHSD17B10CDC25B
SCHEMBL8967049 0.80 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10CDC25B
SCHEMBL6987407 0.80 HSD17B10 (0.56) KDM4EALDH1A1HPGDHSD17B10MCL1
SCHEMBL8967046 0.78 POLB (0.48) KDM4EALDH1A1HPGDHSD17B10CDC25B
SCHEMBL9978740 0.78 MCL1 (0.60) KDM4EALDH1A1HPGDHSD17B10CDC25B
SCHEMBL27540803 0.77 HSD17B10 (0.50) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL7443511 0.76 DRD3 (0.54) KDM4EALDH1A1HPGDHSD17B10CDC25B
SCHEMBL1671110 0.76 CYP1A1 (0.64) KDM4EALDH1A1HPGDCDC25BNPSR1
SCHEMBL485003 0.75 HSD17B10 (0.67) KDM4EALDH1A1HPGDHSD17B10MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2040690-B1 INHIBITORS OF CXCR2 SANOFI SA (FR) 2014-08-06 EP disclosed
US-8552033-B2 Inhibitors of CXCR2 SANOFI (FR) 2013-10-08 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 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-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-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
US-20090215827-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2009-08-27 US disclosed
CN-101478962-A Novel CXCR2 inhibitors SANOFI AVENTIS (FR) 2009-07-08 CN disclosed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
EP-2040690-A1 INHIBITORS OF CXCR2 Sanofi-Aventis (FR) 2009-04-01 EP disclosed
US-20080090854-A1 CXCR2 INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-04-17 US disclosed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed
WO-2008000407-A1 INHIBITORS OF CXCR2 SANOFI-AVENTIS (FR) 2008-01-03 WO 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 (4 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 3892/4885ALDH1A1 1443/4885HPGD 565/4885
US-20090227625-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3853/4885ALDH1A1 2011/4885HPGD 805/4885
US-20090215827-A1 INHIBITORS OF CXCR2 CXCR2, CXCR1, CXCR4 KDM4E 3923/4885ALDH1A1 1690/4885HPGD 662/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 KDM4E 3892/4885ALDH1A1 1443/4885HPGD 565/4885

“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.