SCHEMBL485737

SCHEMBL485737

COC(=O)C1(NC(=O)c2cc(F)c3ccccc3c2O)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 2/20 0.43
CXCR5 P32302 1/20 0.42
POLB P06746 1/20 0.39
CXCR2 P25025 3/20 0.38
GRK2 P25098 1/20 0.37
GRK5 P34947 1/20 0.37
GRK1 Q15835 1/20 0.37
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL4111119 0.91 CXCR2 (0.47) DGAT2CXCR5POLBCXCR2MAPT
SCHEMBL485831 0.86 DGAT2 (0.42) DGAT2CXCR5POLBCXCR2
SCHEMBL485755 0.86 KDM4E (0.50) DGAT2POLBCXCR2MAPTKDM4E
SCHEMBL485604 0.81 CXCR2 (0.51) POLBCXCR2MAPTKDM4E
SCHEMBL3312127 0.77 CXCR5 (0.51) DGAT2CXCR5
SCHEMBL3308985 0.76 CXCR5 (0.73) CXCR5
SCHEMBL10290187 0.75 KMT2A (0.49) POLBCXCR2MAPTKDM4E
SCHEMBL485157 0.75 CXCR2 (0.50) CXCR5POLBCXCR2MAPT
SCHEMBL13162013 0.74 P2RX7 (0.49) CXCR5POLB
SCHEMBL485382 0.73 KMT2A (0.50) POLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 US disclosed
US-8501981-B2 CXCR2 inhibitors SANOFI (FR) 2013-08-06 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
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
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-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
US-20090227625-A1 CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2009-09-10 US disclosed
EP-2040688-A1 NEW CXCR2 INHIBITORS Sanofi-Aventis (FR) 2009-04-01 EP 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
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO disclosed
WO-2008000409-A1 NEW CXCR2 INHIBITORS SANOFI-AVENTIS (FR) 2008-01-03 WO 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 (3 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 DGAT2 3536/4885CXCR5 5/4885POLB 3166/4885
US-20090227625-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 DGAT2 3718/4885CXCR5 5/4885POLB 3597/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 DGAT2 3536/4885CXCR5 5/4885POLB 3166/4885

“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.