SCHEMBL5154924

SCHEMBL5154924

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 4/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TRPA1 O75762 2/20 0.40
CA7 P43166 2/20 0.39
STS P08842 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5157045 0.80 KMT2A (0.48) MEN1KMT2ACA1CA2SMN1; SMN2
SCHEMBL5152117 0.78 KMT2A (0.55) MEN1KMT2ACA1CA2SMN1; SMN2
SCHEMBL9110433 0.77 MAPT (0.51) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL19834511 0.77 MAPT (0.51) CA1CA2SMN1; SMN2MAPTRAB9A
SCHEMBL1725645 0.77 CTSK (0.45) KMT2ACA1CA2MAPTCA7
SCHEMBL3982091 0.77 CTSK (0.45) KMT2ACA1CA2MAPTCA7
SCHEMBL1269661 0.77 CTSK (0.45) KMT2ACA1CA2MAPTCA7
SCHEMBL5070267 0.74 AAK1 (0.55) MAPTRAB9A
SCHEMBL5070271 0.74 AAK1 (0.55) MAPTRAB9A
SCHEMBL31269567 0.73 LOXL2 (0.45) CA1CA2MAPTPPARGPPARA

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 MEN1 2953/4885KMT2A 1046/4885CA1 989/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MEN1 3283/4885KMT2A 735/4885CA1 1227/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MEN1 3022/4885KMT2A 918/4885CA1 1030/4885

“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.