SCHEMBL6201144

SCHEMBL6201144

CCOC(=O)C1CCCCN1C(=O)/C=C/c1ccc(Sc2ccc(/C=C/C(=O)N3CCCCC3C(=O)OCC)c(-c3ccc4c(c3)CCOO4)c2Cl)c(Cl)c1-c1ccc2c(c1)CCOO2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CLK1 P49759 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ITGB2 P05107 6/20 0.34
ICAM1 P05362 6/20 0.34
ITGAL P20701 6/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL6194583 0.90 ITGB2 (0.42) ENPP2ITGB2ICAM1ITGAL
SCHEMBL6199398 0.89 ALDH1A1 (0.37) ENPP2KMT2AMEN1CLK1KDM4E
SCHEMBL6197609 0.89 ITGAL (0.40) ENPP2KMT2AKDM4EITGB2ICAM1
SCHEMBL6214495 0.87 ENPP2 (0.40) ENPP2KMT2AMEN1CLK1KDM4E
SCHEMBL6196369 0.85 HTT (0.49) ENPP2KMT2ACLK1KDM4ERXFP1
SCHEMBL6220061 0.82 ENPP2 (0.36) ENPP2KMT2AMEN1CLK1KDM4E
SCHEMBL6218162 0.81 ALDH1A1 (0.37) ENPP2KMT2AMEN1CLK1KDM4E
SCHEMBL6196751 0.78 ITGB2 (0.44) ENPP2ITGB2ICAM1ITGAL
SCHEMBL6199876 0.78 ITGAL (0.55) ITGB2ICAM1ITGAL
SCHEMBL6199129 0.78 MAPK1 (0.37) ENPP2KMT2AITGB2ICAM1ITGAL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US claimed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US claimed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US disclosed
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US 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 (1 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-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ICAM1, VCAM1, EPCAM ENPP2 321/4885KMT2A 4094/4885MEN1 2594/4885

“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.