SCHEMBL6317178

SCHEMBL6317178

CC(O)CN(CC(C)O)C(=O)/C=C/c1c(-c2cccc(N3CCC(C(=O)O)CC3)c2)cc(Sc2cc(-c3cccc(N4CCC(C(=O)O)CC4)c3)c(/C=C/C(=O)N(CC(C)O)CC(C)O)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.37
ITGB2 P05107 10/20 0.37
ICAM1 P05362 10/20 0.37
ITGAL P20701 10/20 0.37
S1PR1 P21453 3/20 0.35
PDK2 Q15119 1/20 0.34
SERPINE1 P05121 2/20 0.33

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
SCHEMBL6308844 0.86 S1PR1 (0.37) NOTUMITGB2ICAM1ITGALS1PR1
SCHEMBL6317195 0.81 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6570042 0.81 ITGB2 (0.51) ITGB2ICAM1ITGAL
SCHEMBL6310419 0.81 ITGAL (0.47) NOTUMITGB2ICAM1ITGALPDK2
SCHEMBL6311209 0.80 ITGAL (0.45) ITGB2ICAM1ITGAL
SCHEMBL6405996 0.80 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL6311392 0.79 ITGAL (0.42) NOTUMITGB2ICAM1ITGALPDK2
SCHEMBL6310845 0.72 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL6308901 0.72 ITGB2 (0.48) ITGB2ICAM1ITGAL
SCHEMBL6311223 0.72 ITGB2 (0.48) 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 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
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP 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
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 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 NOTUM 1767/4885ITGB2 32/4885ICAM1 1/4885

“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.