SCHEMBL2433146

SCHEMBL2433146

COC(=O)c1ccc(OC(C(=O)OC(C)(C)C)[C@@H]2C[C@H](Oc3ccccc3)CN2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
EPHX2 P34913 2/20 0.34
FAAH O00519 1/20 0.34
BACE1 P56817 3/20 0.34
BACE2 Q9Y5Z0 2/20 0.34
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
OPRD1 P41143 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL5152069 0.83 GRIN1 (0.35) MAPTRAB9AEPHX2NPC1SMN1; SMN2
SCHEMBL6259042 0.78 HRH3 (0.40) BACE1BACE2CTSDCTSEUSP30
SCHEMBL2434825 0.78 HRH3 (0.40) BACE1BACE2CTSDCTSEUSP30
SCHEMBL5151751 0.73 SMN1; SMN2 (0.34) MAPTRAB9AEPHX2NPC1SMN1; SMN2
SCHEMBL2433390 0.71 MAPT (0.53) MAPTRAB9ATSHRNPC1SMN1; SMN2
SCHEMBL2433389 0.71 MAPT (0.53) MAPTRAB9ATSHRNPC1SMN1; SMN2
SCHEMBL13579984 0.71 ALDH1A1 (0.46) MAPTRAB9AEPHX2FAAHTSHR
SCHEMBL6967287 0.70 HRH3 (0.41) EPHX2BACE1BACE2CTSDCTSE
SCHEMBL2431931 0.69 MEN1 (0.36) BACE1BACE2CTSDCTSEMEN1
SCHEMBL6207720 0.69 MEN1 (0.36) BACE1BACE2CTSDCTSEMEN1

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 MAPT 4631/4885RAB9A 2530/4885EPHX2 3797/4885

“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.