SCHEMBL5153814

SCHEMBL5153814

O=C(O)CCc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.67
KMT2A Q03164 2/20 0.54
MGLL Q99685 2/20 0.46
ENPP2 Q13822 3/20 0.46
FFAR1 O14842 2/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA4 P13612 1/20 0.44
GFER P55789 1/20 0.42

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
SCHEMBL20788951 0.93 EPHX2 (0.65) EPHX2KMT2AMGLLENPP2FFAR1
SCHEMBL7103741 0.88 EPHX2 (0.70) EPHX2KMT2AMGLLENPP2
SCHEMBL13852689 0.87 EPHX2 (0.58) EPHX2KMT2AFFAR1ITGB3
SCHEMBL2744086 0.86 EPHX2 (0.73) EPHX2KMT2AMGLLENPP2MAPT
SCHEMBL30877549 0.85 EPHX2 (0.72) EPHX2KMT2AMGLL
SCHEMBL28865314 0.84 EPHX2 (0.64) EPHX2KMT2AMGLLENPP2
SCHEMBL30051640 0.84 EPHX2 (0.64) EPHX2KMT2AMGLLENPP2
SCHEMBL8366872 0.83 EPHX2 (0.75) EPHX2KMT2AMAPT
SCHEMBL2496759 0.81 KMT2A (0.51) EPHX2KMT2A
SCHEMBL118921 0.81 EPHX2 (0.73) EPHX2KMT2AMAPT

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-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-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 EPHX2 3515/4885KMT2A 1046/4885MGLL 3491/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 EPHX2 3592/4885KMT2A 918/4885MGLL 3334/4885

“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.