SCHEMBL2925252

SCHEMBL2925252

CCCCOC(=O)NC(Cc1cccc(O)c1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.53
POLB P06746 1/20 0.47
CHRNA1 P02708 2/20 0.47
CHRNG P07510 2/20 0.47
CHRNB1 P11230 2/20 0.47
CHRND Q07001 2/20 0.47
TSHR P16473 1/20 0.45
BIRC2 Q13490 1/20 0.44
ACE P12821 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
ATM Q13315 1/20 0.43
CNR2 P34972 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
SCHEMBL2928358 0.91 ITGB3 (0.50) CHRNA1CHRNGCHRNB1CHRNDACE
SCHEMBL4121793 0.91 ITGB3 (0.50) CHRNA1CHRNGCHRNB1CHRNDACE
SCHEMBL29542801 0.91 ITGB3 (0.50) CHRNA1CHRNGCHRNB1CHRNDACE
SCHEMBL3652453 0.86 POLB (0.62) POLBTSHRBIRC2ACEACE2
SCHEMBL4385669 0.86 POLB (0.62) POLBTSHRBIRC2ACEACE2
SCHEMBL6826832 0.85 NPSR1 (0.53) NLRP3POLBTSHRALDH1A1CNR2
SCHEMBL1721283 0.85 NPSR1 (0.53) NLRP3POLBTSHRALDH1A1CNR2
SCHEMBL8008631 0.85 NPSR1 (0.53) NLRP3POLBTSHRALDH1A1CNR2
SCHEMBL14638337 0.84 CTSK (0.48) CHRNA1CHRNGCHRNB1CHRNDACE
SCHEMBL14623159 0.84 ALDH1A1 (0.61) NLRP3TSHRALDH1A1ALOX15

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
EP-2004670-B1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AICURIS GMBH & CO KG (DE) 2010-01-27 EP disclosed
US-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2009-06-25 US disclosed
EP-2004670-A1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AiCuris GmbH & Co. KG (DE) 2008-12-24 EP disclosed
WO-2007118693-A1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AICURIS GMBH & CO. KG (DE) 2007-10-25 WO 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 (1 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-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES DLST, VIP, HAMP NLRP3 356/4885POLB 1754/4885CHRNA1 4586/4885

“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.