SCHEMBL12467289

SCHEMBL12467289

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.49
TSHR P16473 1/20 0.45
SDCBP O00560 2/20 0.43
SDC2 P34741 2/20 0.43
MMP2 P08253 2/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
PYGL P06737 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TACR3 P29371 2/20 0.41
CNR1 P21554 1/20 0.41
CCR1 P32246 1/20 0.41
WDR5 P61964 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL12468146 0.88 ERAP1 (0.48) EGLN1PYGLTACR3WDR5MEN1
SCHEMBL12467113 0.86 MMP9 (0.45) EGLN1MMP2MMP1MMP3MMP7
SCHEMBL485720 0.80 EGLN1 (0.46) EGLN1TSHRSDCBPSDC2PYGL
SCHEMBL485718 0.80 EGLN1 (0.46) EGLN1TSHRSDCBPSDC2PYGL
SCHEMBL12468152 0.79 WDR5 (0.47) EGLN1PYGLTACR3WDR5MEN1
SCHEMBL25388151 0.77 PLK1 (0.57) EGLN1MMP3PYGLCYP2C9MEN1
SCHEMBL25386182 0.77 PLK1 (0.57) EGLN1MMP3PYGLCYP2C9MEN1
SCHEMBL735538 0.77 PLK1 (0.57) EGLN1MMP3PYGLCYP2C9MEN1
SCHEMBL12728872 0.76 ERAP1 (0.55) WDR5
SCHEMBL9464737 0.71 POLB (0.53) EGLN1CCR1LMNASMN1; SMN2

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 EGLN1 1944/4885TSHR 1709/4885SDCBP 2173/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 EGLN1 1944/4885TSHR 1709/4885SDCBP 2173/4885

“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.