SCHEMBL5155115

SCHEMBL5155115

COC(=O)c1ccc(OC(C)NCC(=O)Cc2ccc(NC(=O)Nc3ccccc3F)c(OC)c2)c(N2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.44
▸ GFER P55789 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PYGL P06737 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 4/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ POLB P06746 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
SCHEMBL5151895 0.94 GAA (0.44) GAAGFERNPSR1PYGLLMNA
SCHEMBL5151886 0.92 GAA (0.45) GAAGFERNPSR1LMNAMAPT
SCHEMBL5152504 0.87 PYGL (0.45) GAANPSR1PYGLKDM4EMAPT
SCHEMBL5154993 0.86 ITGA4 (0.47) GAAGFERNPSR1LMNAMAPT
SCHEMBL5152073 0.86 PYGL (0.45) NPSR1PYGLKDM4EMAPTRAB9A
SCHEMBL5152615 0.86 GAA (0.44) GAAGFERNPSR1PYGLLMNA
SCHEMBL5150105 0.84 PYGL (0.44) GAANPSR1PYGLKDM4EMAPT
SCHEMBL5155691 0.83 KMT2A (0.46) GAAPYGLLMNAKDM4EMAPT
SCHEMBL5155630 0.81 PYGL (0.45) PYGLKDM4EMAPTRAB9ANPC1
SCHEMBL5151889 0.80 GAA (0.44) GAAGFERNPSR1PYGLLMNA

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 GAA 1709/4885GFER 2237/4885NPSR1 2506/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 GAA 1575/4885GFER 2325/4885NPSR1 2578/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 GAA 1727/4885GFER 2113/4885NPSR1 2415/4885

“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.

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