SCHEMBL5152050

SCHEMBL5152050

CCOC(=O)c1ccc(OC(CC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)NC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 7/20 0.50
▸ ITGB1 P05556 6/20 0.50
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL5153192 0.91 ITGA4 (0.54) ITGA4ITGB1MAPK1GAAMEN1
SCHEMBL5151711 0.84 ITGA4 (0.47) ITGA4ITGB1MAPTMAPK1ALDH1A1
SCHEMBL5153281 0.83 ITGA4 (0.45) ITGA4ITGB1MAPTMAPK1ALDH1A1
SCHEMBL5152068 0.82 ITGA4 (0.46) ITGA4ITGB1MAPTMAPK1GAA
Methylamine SCHEMBL5152065 0.82 MEN1 (0.46) ITGA4ITGB1MAPTMAPK1GAA
SCHEMBL7137851 0.81 GAA (0.41) MAPTMAPK1ALDH1A1GAAMEN1
SCHEMBL5151845 0.81 ITGA4 (0.43) ITGA4ITGB1MAPTMAPK1ALDH1A1
SCHEMBL5151694 0.80 MEN1 (0.46) ITGA4ITGB1MAPTMAPK1GAA
SCHEMBL5181851 0.79 ITGA4 (0.41) ITGA4ITGB1MAPTMAPK1ALDH1A1
SCHEMBL5152058 0.78 LTB4R (0.46) ITGA4ITGB1MAPTMAPK1GAA

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 ITGA4 3/4885ITGB1 7/4885MAPT 3229/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885ITGB1 8/4885MAPT 3296/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885ITGB1 7/4885MAPT 3414/4885

“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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