SCHEMBL5153820

SCHEMBL5153820

CC(C(=O)O)c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.66
PTGS2 P35354 2/20 0.46
FAAH O00519 1/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CASP3 P42574 2/20 0.44
PTGS1 P23219 1/20 0.42
MDM4 O15151 1/20 0.42
TP53 P04637 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
SCHEMBL2744658 0.85 EPHX2 (0.67) EPHX2KMT2ALMNAMAPTMAPK1
SCHEMBL8366872 0.82 EPHX2 (0.75) EPHX2KMT2AMAPTCASP3
SCHEMBL16977027 0.81 EPHX2 (0.75) EPHX2FAAHKMT2ALMNAMAPT
SCHEMBL694173 0.81 EPHX2 (0.75) EPHX2KMT2ALMNAMAPTMAPK1
SCHEMBL118921 0.80 EPHX2 (0.73) EPHX2KMT2ALMNAMAPTMAPK1
SCHEMBL29400630 0.80 EPHX2 (0.73) EPHX2KMT2ALMNAMAPTMAPK1
SCHEMBL30089345 0.80 EPHX2 (0.73) EPHX2KMT2ALMNAMAPTMAPK1
SCHEMBL28491867 0.80 MAPK1 (0.66) PTGS2FAAHLMNAMAPTMAPK1
SCHEMBL4099152 0.79 EPHX2 (0.75) EPHX2KMT2ALMNAMAPTMAPK1
SCHEMBL12235823 0.78 EPHX2 (0.70) EPHX2KMT2AMAPTMAPK1HSD17B10

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 8 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
CN-1391473-A VLA-4 inhibitor compounds DAIICHI SEIYAKU CO (JP) 2003-01-15 CN 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 3515/4885PTGS2 2062/4885FAAH 2536/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 EPHX2 3592/4885PTGS2 2117/4885FAAH 2305/4885

“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.