SCHEMBL12467283

SCHEMBL12467283

O=C(NC1(C(=O)O)CCCC1)c1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.54
CXCR5 P32302 2/20 0.51
FABP4 P15090 4/20 0.48
FABP5 Q01469 4/20 0.48
PYGL P06737 5/20 0.45
ERAP1 Q9NZ08 3/20 0.45
CYP2C9 P11712 1/20 0.44
WDR5 P61964 1/20 0.44
TACR3 P29371 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
SCHEMBL1841537 0.81 CXCR5 (0.71) CXCR2CXCR5PYGLERAP1CYP2C9
SCHEMBL485588 0.78 CXCR2 (0.64) CXCR2CXCR5PYGLERAP1CYP2C9
SCHEMBL485768 0.78 CXCR2 (0.52) CXCR2CXCR5PYGLERAP1CYP2C9
SCHEMBL485769 0.74 CXCR2 (0.68) CXCR2CXCR5PYGLCYP2C9
SCHEMBL485565 0.74 ERAP1 (0.50) CXCR2CXCR5FABP4FABP5PYGL
SCHEMBL3926632 0.73 CXCR2 (0.86) CXCR2CXCR5PYGLCYP2C9
SCHEMBL3936452 0.72 CXCR2 (0.75) CXCR2CXCR5PYGLCYP2C9
SCHEMBL2240626 0.72 WDR5 (0.81) CYP2C9WDR5
SCHEMBL9856947 0.72 WDR5 (0.63) WDR5
SCHEMBL485654 0.72 CXCR2 (0.59) CXCR2CXCR5

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 4 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
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

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 1/4885CXCR5 5/4885FABP4 1785/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885CXCR5 5/4885FABP4 1785/4885

“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.