SCHEMBL12468146

SCHEMBL12468146

C[C@H](NC(=O)c1ccc2ccccc2c1-c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.48
BBOX1 O75936 2/20 0.47
EGLN1 Q9GZT9 2/20 0.47
FTO Q9C0B1 1/20 0.47
WDR5 P61964 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TACR3 P29371 1/20 0.41
PYGL P06737 1/20 0.41
ANO1 Q5XXA6 1/20 0.41
S1PR1 P21453 1/20 0.41
CCKAR P32238 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
XIAP P98170 1/20 0.40

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
SCHEMBL12468152 0.91 WDR5 (0.47) BBOX1EGLN1FTOWDR5ALDH1A1
SCHEMBL12467289 0.88 EGLN1 (0.49) EGLN1WDR5MEN1LMNAMAPT
SCHEMBL485777 0.79 BBOX1 (0.44) ERAP1BBOX1EGLN1FTOALDH1A1
SCHEMBL485776 0.79 BBOX1 (0.44) ERAP1BBOX1EGLN1FTOALDH1A1
SCHEMBL12728872 0.78 ERAP1 (0.55) ERAP1WDR5ANO1GPR84
SCHEMBL2405015 0.76 PLK1 (0.60) BBOX1EGLN1FTOALDH1A1LMNA
SCHEMBL9831137 0.76 PLK1 (0.60) BBOX1EGLN1FTOALDH1A1LMNA
SCHEMBL12467113 0.74 MMP9 (0.45) EGLN1ALDH1A1MEN1MAPTKMT2A
SCHEMBL27987430 0.74 BBOX1 (0.45) BBOX1EGLN1FTOWDR5ALDH1A1
SCHEMBL28633025 0.72 WDR5 (0.68) WDR5ALDH1A1MEN1LMNAMAPT

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 ERAP1 2292/4885BBOX1 759/4885EGLN1 1944/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 ERAP1 2292/4885BBOX1 759/4885EGLN1 1944/4885

“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.