SCHEMBL2432718

SCHEMBL2432718

COC(=O)c1ccc(OC[C@@H]2COCCN2C(=O)OCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA5 P30532 1/20 0.47
CHRNA7 P36544 1/20 0.47
CHRNA4 P43681 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
EGFR P00533 2/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL14592528 0.87 KMT2A (0.54) CHRNB2CHRNA5CHRNA7CHRNA4MRGPRX4
SCHEMBL12327761 0.80 CHRNB2 (0.46) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL18988779 0.79 NPSR1 (0.52) KMT2AMEN1NPSR1RAB9ATMEM97
SCHEMBL12327950 0.79 CHRNB2 (0.45) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL30602331 0.78 MEN1 (0.48) KMT2AMEN1NPSR1KDM4ERAB9A
SCHEMBL14646652 0.78 MEN1 (0.58) KMT2AMEN1NPSR1RAB9ATMEM97
SCHEMBL30602343 0.78 MEN1 (0.58) KMT2AMEN1NPSR1RAB9ATMEM97
SCHEMBL2432719 0.78 PDK1 (0.51) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL18988799 0.77 MEN1 (0.56) KMT2AMEN1NPSR1RAB9ATMEM97
SCHEMBL30452354 0.77 MEN1 (0.56) KMT2AMEN1NPSR1RAB9ATMEM97

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 CHRNB2 1103/4885CHRNA5 1568/4885CHRNA7 1726/4885

“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.