SCHEMBL5152742

SCHEMBL5152742

COC(=O)c1ccc(N(C)C2CCCN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3C)c(OC)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 18/20 0.59
▸ ITGB1 P05556 12/20 0.59
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL5151903 0.88 ITGA4 (0.64) ITGA4ITGB1
SCHEMBL5151577 0.86 ITGA4 (0.59) ITGA4ITGB1
SCHEMBL5153560 0.85 ITGA4 (0.55) ITGA4ITGB1
SCHEMBL5153325 0.84 ITGA4 (0.65) ITGA4ITGB1
SCHEMBL5152440 0.83 ITGA4 (0.60) ITGA4ITGB1NPC1MAPTRAB9A
SCHEMBL5152451 0.83 ITGA4 (0.60) ITGA4ITGB1NPC1MAPTRAB9A
SCHEMBL5152436 0.83 ITGA4 (0.60) ITGA4ITGB1NPC1MAPTRAB9A
SCHEMBL5152754 0.83 ITGA4 (0.66) ITGA4ITGB1NPC1MAPTRAB9A
SCHEMBL14558934 0.83 ITGA4 (0.66) ITGA4ITGB1NPC1MAPTRAB9A
SCHEMBL5156970 0.82 ITGA4 (0.60) ITGA4ITGB1

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 7 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
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — WO 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 7/4885NPC1 2939/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885ITGB1 8/4885NPC1 3300/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885ITGB1 7/4885NPC1 2981/4885

“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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