SCHEMBL2928358

SCHEMBL2928358

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.50
ITGAV P06756 3/20 0.50
ITGA2B P08514 8/20 0.49
NOS2 P35228 1/20 0.49
TYR P14679 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
ACE P12821 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
CTSK P43235 2/20 0.46
SIRT2 Q8IXJ6 2/20 0.46
SIRT1 Q96EB6 2/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46

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
SCHEMBL4121793 1.00 ITGB3 (0.50) ITGB3ITGAVITGA2BNOS2TYR
SCHEMBL29542801 1.00 ITGB3 (0.50) ITGB3ITGAVITGA2BNOS2TYR
SCHEMBL2925252 0.91 NLRP3 (0.53) CHRNA1CHRNGCHRNB1CHRNDACE
SCHEMBL5085780 0.88 CTSB (0.53) ITGB3ITGAVITGA2BACEACE2
SCHEMBL9828876 0.88 CTSB (0.53) ITGB3ITGAVITGA2BACEACE2
SCHEMBL7758997 0.87 ITGB3 (0.58) ITGB3ITGA2BACEACE2CTSK
SCHEMBL844471 0.87 ITGB3 (0.58) ITGB3ITGA2BACEACE2CTSK
SCHEMBL2185240 0.87 ITGB3 (0.58) ITGB3ITGA2BACEACE2CTSK
SCHEMBL5085119 0.87 CTSK (0.50) ITGB3ITGAVITGA2BACEACE2
SCHEMBL5500451 0.87 CTSL (0.50) ITGB3ITGAVITGA2BACEACE2

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 2 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

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 ITGB3 4455/4885ITGAV 3737/4885ITGA2B 3138/4885

“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.