SCHEMBL5152215

SCHEMBL5152215

COC(=O)c1ccc(OCCNCC(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)c(NC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 8/20 0.46
▸ ITGB1 P05556 7/20 0.46
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ LPAR1 Q92633 1/20 0.37
▸ CHEK1 O14757 1/20 0.37

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
SCHEMBL5151824 0.94 ITGA4 (0.48) ITGA4ITGB1MEN1KMT2AGAA
SCHEMBL5152499 0.92 PYGL (0.43) ITGA4ITGB1ALDH1A1MAPTRAB9A
SCHEMBL5152565 0.89 ITGA4 (0.45) ITGA4ITGB1ALDH1A1MAPTRAB9A
SCHEMBL5152812 0.88 ITGA4 (0.46) ITGA4ITGB1ALDH1A1MAPTRAB9A
SCHEMBL5150069 0.88 ITGA4 (0.44) ITGA4ITGB1ALDH1A1MAPTRAB9A
SCHEMBL5149692 0.87 ITGA4 (0.45) ITGA4ITGB1ALDH1A1MAPTRAB9A
SCHEMBL5153141 0.87 ITGA4 (0.43) ITGA4ITGB1ALDH1A1MAPTRAB9A
SCHEMBL5150234 0.86 ITGA4 (0.51) ITGA4ITGB1MAPTRAB9ANPC1
SCHEMBL5152225 0.86 ITGA4 (0.47) ITGA4ITGB1ALDH1A1MAPTRAB9A
SCHEMBL5155611 0.85 PYGL (0.43) ITGA4ITGB1ALDH1A1RAB9ANPC1

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 7/4885ALDH1A1 146/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885ITGB1 8/4885ALDH1A1 120/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885ITGB1 7/4885ALDH1A1 135/4885

“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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