SCHEMBL5153516

SCHEMBL5153516

COC(=O)c1ccc(OC(F)(C(=O)Cc2ccc(NC(=O)Nc3ccccc3OC)c(OC)c2)N2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 7/20 0.48
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL5152799 0.94 ITGA4 (0.43) ITGA4MAPTKMT2AMEN1LMNA
SCHEMBL5151939 0.94 ITGA4 (0.50) ITGA4MAPTKMT2AMEN1RAB9A
SCHEMBL5152120 0.94 ITGA4 (0.54) ITGA4MAPTKMT2AMEN1LMNA
SCHEMBL5156530 0.94 ITGA4 (0.51) ITGA4MAPTKMT2AMEN1LMNA
SCHEMBL5153490 0.94 ITGA4 (0.51) ITGA4MAPTKMT2AMEN1LMNA
SCHEMBL5153307 0.94 ITGA4 (0.45) ITGA4MAPTKMT2AMEN1LMNA
SCHEMBL5149725 0.92 RAB9A (0.52) MAPTKMT2AMEN1LMNAL3MBTL1
SCHEMBL6210735 0.88 ITGA4 (0.50) ITGA4MAPTKMT2AMEN1LMNA
SCHEMBL6208854 0.88 ITGA4 (0.57) ITGA4SMN1; SMN2ITGB1
SCHEMBL5151727 0.87 ITGA4 (0.51) ITGA4MAPTKMT2AMEN1LMNA

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 3/4885MAPT 3229/4885KMT2A 1046/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGA4 4/4885MAPT 3296/4885KMT2A 735/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGA4 5/4885MAPT 3414/4885KMT2A 918/4885

“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.