SCHEMBL5156820

SCHEMBL5156820

COc1cc(CC(=O)O)ccc1NC(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 2/20 0.58
▸ ITGA4 P13612 2/20 0.58
▸ KDM4E B2RXH2 3/20 0.57
▸ POLB P06746 3/20 0.57
▸ MAPT P10636 9/20 0.56
▸ MEN1 O00255 8/20 0.56
▸ KMT2A Q03164 8/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ HPGD P15428 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ RCE1 Q9Y256 1/20 0.56
▸ NPC1 O15118 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ THRB P10828 1/20 0.54
▸ TSHR P16473 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ LMNA P02545 1/20 0.53

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
SCHEMBL5151619 0.91 MAPT (0.57) ITGB1ITGA4KDM4EPOLBMAPT
SCHEMBL5151715 0.90 MEN1 (0.54) ITGB1ITGA4KDM4EPOLBMAPT
SCHEMBL6166911 0.88 MAPT (0.58) ITGB1ITGA4KDM4EPOLBMAPT
SCHEMBL4683165 0.87 ITGA4 (0.67) ITGB1ITGA4POLBMAPTMEN1
SCHEMBL6597529 0.87 MEN1 (0.56) ITGB1ITGA4KDM4EPOLBMAPT
SCHEMBL5155303 0.86 ITGA4 (0.55) ITGB1ITGA4POLBMEN1KMT2A
SCHEMBL5150328 0.86 ITGB1 (0.52) ITGB1ITGA4MAPTMEN1KMT2A
SCHEMBL5152156 0.86 KMT2A (0.56) ITGB1ITGA4KDM4EMAPTMEN1
SCHEMBL5152186 0.86 ALDH1A1 (0.56) ITGB1ITGA4POLBMAPTMEN1
SCHEMBL8868308 0.86 MAPT (0.55) ITGB1ITGA4KDM4EPOLBMAPT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842196-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-11-21 — — EP disclosed
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
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 — — US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 — — US disclosed
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 — — 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-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 — — US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 — — US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 — — EP disclosed
US-6248713-B1 OLIGOPEPTIDE FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BIOGEN, INC. 2001-06-19 — — US disclosed
US-6239108-B1 Cell adhesion inhibitors BIOGEN, INC. 2001-05-29 — — US disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — WO disclosed
EP-0842196-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-05-20 — — EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 — — EP disclosed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 — — WO disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 — — 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ITGB1 11/4885ITGA4 37/4885KDM4E 3595/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ITGB1 8/4885ITGA4 4/4885KDM4E 409/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ITGB1 7/4885ITGA4 5/4885KDM4E 669/4885

“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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