SCHEMBL5153451

SCHEMBL5153451

CCOC(=O)c1ccc(OC(C)NCCC(=O)Cc2ccc(NC(=O)Nc3ccccc3F)c(OC)c2)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ PYGL P06737 2/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 2/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 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
SCHEMBL5151711 0.92 ITGA4 (0.47) MAPTALDH1A1MAPK1GAAMEN1
SCHEMBL5150320 0.91 PYGL (0.48) ALDH1A1PYGLMEN1KMT2AKDM4E
SCHEMBL5153464 0.85 GAA (0.42) MAPTALDH1A1MAPK1GAAPYGL
SCHEMBL5152996 0.83 ITGA4 (0.51) MAPK1GAAPYGLMEN1KMT2A
SCHEMBL5153773 0.82 GAA (0.41) MAPTALDH1A1MAPK1GAAMEN1
SCHEMBL5152073 0.79 PYGL (0.45) MAPTALDH1A1PYGLMEN1KMT2A
SCHEMBL5152504 0.79 PYGL (0.45) MAPTALDH1A1GAAPYGLMEN1
SCHEMBL5150105 0.78 PYGL (0.44) MAPTALDH1A1GAAPYGLMEN1
SCHEMBL5151694 0.78 MEN1 (0.46) MAPTMAPK1GAAMEN1KMT2A
SCHEMBL6967330 0.77 GAA (0.42) MAPTALDH1A1MAPK1GAAMEN1

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-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
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 (2 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 MAPT 3229/4885ALDH1A1 146/4885MAPK1 1100/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MAPT 3296/4885ALDH1A1 120/4885MAPK1 1430/4885

“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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