SCHEMBL6311376

SCHEMBL6311376

C=C(C(=O)N1CC=CCC1)c1ccc(Sc2cccc(N3CCC(C(=O)O)CC3)c2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 11/20 0.40
ICAM1 P05362 11/20 0.40
ITGAL P20701 11/20 0.40
NOTUM Q6P988 5/20 0.39
SERPINE1 P05121 3/20 0.35
PDK2 Q15119 1/20 0.35

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
SCHEMBL6310400 0.88 ITGAL (0.43) ITGB2ICAM1ITGALNOTUMSERPINE1
SCHEMBL6311168 0.87 NOTUM (0.41) ITGB2ICAM1ITGALNOTUMSERPINE1
SCHEMBL6405999 0.87 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6308747 0.86 NOTUM (0.39) ITGB2ICAM1ITGALNOTUMPDK2
SCHEMBL6311400 0.83 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL6568656 0.83 ITGB2 (0.58) ITGB2ICAM1ITGAL
SCHEMBL6817904 0.80 NPC1 (0.32) ITGB2ICAM1ITGAL
SCHEMBL6317150 0.79 ITGB2 (0.38) ITGB2ICAM1ITGALNOTUMSERPINE1
SCHEMBL6308904 0.78 ITGB2 (0.47) ITGB2ICAM1ITGALNOTUM
SCHEMBL6311938 0.78 ITGB2 (0.40) ITGB2ICAM1ITGALNOTUMSERPINE1

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 9 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
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
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 ITGB2 32/4885ICAM1 1/4885ITGAL 57/4885

“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.