SCHEMBL12467331

SCHEMBL12467331

CC(C)(NC(=O)c1ccc2ccccc2c1-c1ccc(F)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 6/20 0.48
KDM4E B2RXH2 2/20 0.45
ERAP1 Q9NZ08 3/20 0.43
WDR5 P61964 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EGLN1 Q9GZT9 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
KCNJ11 Q14654 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
CYP1B1 Q16678 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
SHMT1 P34896 1/20 0.36

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
SCHEMBL10289511 0.91 CXCR2 (0.53) CXCR2KDM4EERAP1WDR5ALDH1A1
SCHEMBL12468040 0.88 CXCR2 (0.48) CXCR2KDM4EERAP1WDR5KCNJ11
SCHEMBL12728872 0.88 ERAP1 (0.55) CXCR2KDM4EERAP1WDR5KCNJ11
SCHEMBL10289510 0.86 CXCR2 (0.49) CXCR2KDM4EMEN1KMT2AKCNJ11
SCHEMBL485267 0.79 CYP1B1 (0.47) CXCR2KDM4EERAP1MEN1KMT2A
SCHEMBL485580 0.79 CXCR2 (0.60) CXCR2KDM4EERAP1MEN1KMT2A
SCHEMBL485268 0.79 CYP1B1 (0.47) CXCR2KDM4EERAP1MEN1KMT2A
SCHEMBL10290179 0.79 WDR5 (0.43) KDM4EWDR5MEN1KMT2AGPR84
SCHEMBL485239 0.78 KDM4E (0.63) CXCR2KDM4EMEN1KMT2ACYP1B1
SCHEMBL3934333 0.77 CXCR2 (0.65) CXCR2KDM4EALDH1A1LMNAMAPT

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 1/4885KDM4E 3892/4885ERAP1 2292/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 CXCR2 1/4885KDM4E 3892/4885ERAP1 2292/4885

“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.