SCHEMBL12467113

SCHEMBL12467113

COc1ccc(-c2c(C(=O)N[C@H](C(=O)O)C(C)C)ccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
TACR3 P29371 2/20 0.44
CSGALNACT1 Q8TDX6 1/20 0.44
DGAT1 O75907 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL12467289 0.86 EGLN1 (0.49) MMP9MMP1MMP2MMP3MMP7
SCHEMBL485442 0.81 PYGL (0.42) TACR3CSGALNACT1DGAT1PSEN1PSEN2
SCHEMBL485444 0.81 PYGL (0.42) TACR3CSGALNACT1DGAT1PSEN1PSEN2
SCHEMBL14150946 0.79 WDR5 (0.63) ALDH1A1MAPTNPC1HPGDRAB9A
SCHEMBL9857384 0.78 ABCG2 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10289510 0.77 CXCR2 (0.49) MMP3ALDH1A1MAPTHSP90AA1HSP90AB1
SCHEMBL12468152 0.77 WDR5 (0.47) TACR3ALDH1A1EGLN1MEN1KMT2A
SCHEMBL25388151 0.75 PLK1 (0.57) MMP3ALDH1A1NPC1HPGDRAB9A
SCHEMBL735538 0.75 PLK1 (0.57) MMP3ALDH1A1NPC1HPGDRAB9A
SCHEMBL25386182 0.75 PLK1 (0.57) MMP3ALDH1A1NPC1HPGDRAB9A

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 MMP9 940/4885MMP1 709/4885MMP2 750/4885
US-20080090854-A1 CXCR2 INHIBITORS CXCR2, CXCR1, CXCR4 MMP9 940/4885MMP1 709/4885MMP2 750/4885

“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.