SCHEMBL5281947

SCHEMBL5281947

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.50
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
ITGB1 P05556 2/20 0.50
ITGA4 P13612 2/20 0.50
HSD17B10 Q99714 1/20 0.50
RCE1 Q9Y256 1/20 0.50
PKM P14618 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL5153634 0.91 MAPT (0.51) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL6037562 0.88 ITGA4 (0.56) MAPTMEN1KMT2AITGB1ITGA4
SCHEMBL5152596 0.87 LPAR1 (0.47) MAPTMEN1KMT2AALDH1A1ITGB1
SCHEMBL5152837 0.86 BRD4 (0.54) MAPTMEN1KMT2AITGB1ITGA4
SCHEMBL5151870 0.86 CXCR2 (0.46) MAPTMEN1KMT2AALDH1A1ITGB1
SCHEMBL5156820 0.86 ITGB1 (0.58) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL5152943 0.85 LPAR1 (0.54) MEN1KMT2AALDH1A1KDM4EITGB1
SCHEMBL5153172 0.84 LPAR1 (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL5151715 0.83 MEN1 (0.54) MAPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL5151950 0.83 MAPT (0.51) MAPTMEN1KMT2AALDH1A1NPSR1

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 19 patents. 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-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
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US 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
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 MAPT 2771/4885MEN1 1437/4885KMT2A 3376/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MAPT 2771/4885MEN1 1437/4885KMT2A 3376/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MAPT 2771/4885MEN1 1437/4885KMT2A 3376/4885

“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.