SCHEMBL6200706

SCHEMBL6200706

CC(C)c1ccccc1-c1c(/C=C/C(=O)O)ccc(Sc2ccc(/C=C/C(=O)O)c(-c3ccccc3C(C)C)c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
PTGES O14684 1/20 0.40
ITGB2 P05107 16/20 0.39
ICAM1 P05362 16/20 0.39
ITGAL P20701 16/20 0.39
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6197566 0.83 ITGB2 (0.40) MAPTPTGESITGB2ICAM1ITGAL
SCHEMBL5829783 0.83 ITGB2 (0.60) ITGB2ICAM1ITGAL
SCHEMBL6199640 0.83 ITGB2 (0.61) MAPTITGB2ICAM1ITGALKDM4E
SCHEMBL6197098 0.83 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6220210 0.83 ITGAL (0.49) ITGB2ICAM1ITGALKDM4E
SCHEMBL6201282 0.83 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL6201015 0.82 ITGAL (0.62) ITGB2ICAM1ITGAL
SCHEMBL6198675 0.82 ITGB2 (0.39) ITGB2ICAM1ITGAL
SCHEMBL6200754 0.81 ITGB2 (0.62) ITGB2ICAM1ITGAL
SCHEMBL6196456 0.81 ITGB2 (0.50) ITGB2ICAM1ITGAL

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-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
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 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 (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 MAPT 3667/4885PTGES 287/4885ITGB2 32/4885

“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.