SCHEMBL5053407

SCHEMBL5053407

Nc1ccc(C=CCOC(=O)C(O[C]=O)c2ccc(N)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.36
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
IDO1 P14902 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
APP P05067 3/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
CACNA1B Q00975 1/20 0.32
MAPK1 P28482 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL7264614 0.94 IDO1 (0.43) CYP19A1GRIK1GRIK2IDO1MAPT
SCHEMBL5050389 0.82 CYP19A1 (0.33) CYP19A1IDO1MAPTALDH1A1SMN1; SMN2
SCHEMBL5050204 0.76 IDO1 (0.38) IDO1ALDH1A1KDM4EHTTAPP
SCHEMBL15457003 0.73 CYP19A1 (0.42) CYP19A1GRIK1GRIK2APPMMP2
SCHEMBL3793245 0.72 APP (0.42) CYP19A1IDO1MAPTAPPRAB9A
SCHEMBL3793250 0.72 APP (0.42) CYP19A1IDO1MAPTAPPRAB9A
SCHEMBL5050210 0.71 CYP4F2 (0.44) CYP19A1IDO1MAPTALDH1A1SMN1; SMN2
SCHEMBL5050338 0.71 CYP19A1 (0.41) CYP19A1IDO1MAPTALDH1A1SMN1; SMN2
SCHEMBL5050359 0.71
SCHEMBL23488934 0.70 KDM4E (0.51) GRIK1GRIK2MAPTALDH1A1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370298-B1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS SYNTARGA BV (NL) 2008-10-08 EP claimed
EP-1370298-B1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS SYNTARGA BV (NL) 2008-10-08 EP disclosed
US-7223837-B2 Anticancer prodrugs, enhance enzymatic activation rates SYNTARGA B.V. (NL) 2007-05-29 US disclosed
US-20040121940-A1 Elongated and multiple spacers in activatible produgs BYONDIS B.V. (NL) 2004-06-24 US disclosed
EP-1370298-A1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS Syntarga B.V. (NL) 2003-12-17 EP disclosed
WO-2002083180-A1 ELONGATED AND MULTIPLE SPACERS IN ACTIVATIBLE PRODRUGS SYNTARGA B.V. (NL) 2002-10-24 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-20040121940-A1 Elongated and multiple spacers in activatible produgs PLG, KLK1, PKM CYP19A1 303/4885GRIK1 1175/4885GRIK2 2352/4885

“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.