SCHEMBL5154917

SCHEMBL5154917

COC(=O)c1ccc(OC(C)(C)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
RAB9A P51151 2/20 0.42
MGLL Q99685 1/20 0.42
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
STS P08842 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.39

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
SCHEMBL15739717 0.83 NPC1 (0.46) MAPTCA1CA2RAB9AMGLL
SCHEMBL5152111 0.81 CA1 (0.53) MAPTCA1CA2RAB9ACA12
SCHEMBL5157040 0.81 MAPT (0.46) MAPTCA1CA2RAB9ACA12
SCHEMBL6608601 0.79 MGLL (0.49) MAPTCA1CA2RAB9AMGLL
SCHEMBL445487 0.78 CA1 (0.64) MAPTCA1CA2RAB9AMGLL
SCHEMBL13990845 0.77 CA1 (0.56) MAPTCA1CA2RAB9AMGLL
SCHEMBL7490983 0.77 CA12 (0.65) MAPTCA1CA2RAB9AMGLL
SCHEMBL2733809 0.77 CA1 (0.64) MAPTCA1CA2RAB9ACA12
SCHEMBL18406587 0.77 MAPT (0.51) MAPTCA1CA2RAB9ACA12
SCHEMBL1206337 0.77 NAMPT (0.55) CA1CA2RAB9ALMNAGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 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 (3 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MAPT 3229/4885CA1 989/4885CA2 2157/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPT 3296/4885CA1 1227/4885CA2 2236/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MAPT 3414/4885CA1 1030/4885CA2 2051/4885

“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.