SCHEMBL6257325

SCHEMBL6257325

COc1cccc(CC(=O)NC(C)COc2ccc(C(=O)O)cc2)c1NC(=O)Nc1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 7/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LPAR1 Q92633 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ITGB1 P05556 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
SCHEMBL5152792 0.83 ITGA4 (0.60) ITGA4MEN1KMT2AGAASMN1; SMN2
SCHEMBL5152796 0.83 ITGA4 (0.60) ITGA4MEN1KMT2AGAASMN1; SMN2
SCHEMBL5155539 0.80 ITGB1 (0.56) ITGA4MAPTNPC1RAB9AITGB1
SCHEMBL5155546 0.80 ITGB1 (0.56) ITGA4MAPTNPC1RAB9AITGB1
SCHEMBL5350823 0.78 PTGS2 (0.53) ITGA4MEN1KMT2AGAAMAPT
SCHEMBL14611015 0.77 GAA (0.43) ITGA4MEN1KMT2AGAAMAPT
SCHEMBL14569726 0.77 GAA (0.43) ITGA4MEN1KMT2AGAAMAPT
SCHEMBL5151930 0.75 ITGA4 (0.56) ITGA4MEN1KMT2AGAASMN1; SMN2
SCHEMBL5152717 0.75 ITGA4 (0.56) ITGA4MEN1KMT2AGAASMN1; SMN2
SCHEMBL5149759 0.74 ITGA4 (0.61) ITGA4MEN1KMT2ALPAR1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 — — EP 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 (1 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 3/4885MEN1 2953/4885KMT2A 1046/4885

“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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