SCHEMBL2432719

SCHEMBL2432719

COC(=O)c1ccc(OCC2CN(C(=O)OCc3ccccc3)CCO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DRD4 P21917 3/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
GRIN2B Q13224 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9384439 0.82 ENPP2 (0.47) MEN1KMT2ANPSR1RAB9ANPC1
SCHEMBL13984639 0.82 EPHA2 (0.50) PDK1MEN1KMT2ADRD4
SCHEMBL1848811 0.82 EPHA2 (0.50) PDK1MEN1KMT2ADRD4
SCHEMBL29335644 0.80 MEN1 (0.55) PDK1MEN1KMT2ANPSR1RAB9A
SCHEMBL13059800 0.80 MEN1 (0.60) MEN1KMT2ANPSR1RAB9ANPC1
SCHEMBL24571627 0.79 MEN1 (0.56) MEN1KMT2ANPSR1RAB9ANPC1
SCHEMBL29612683 0.79 MEN1 (0.56) MEN1KMT2ANPSR1RAB9ANPC1
SCHEMBL30225584 0.79 MEN1 (0.56) MEN1KMT2ANPSR1RAB9ANPC1
SCHEMBL5364667 0.79 HPGD (0.52) MEN1KMT2ANPSR1SMN1; SMN2MAPT
SCHEMBL14425362 0.79 HPGD (0.52) MEN1KMT2ANPSR1SMN1; SMN2MAPT

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-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 PDK1 4515/4885MEN1 1582/4885KMT2A 344/4885

“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.