SCHEMBL6311392

SCHEMBL6311392

O=C(O)C1CCN(c2cccc(-c3cc(Sc4cc(-c5cccc(N6CCC(C(=O)O)CC6)c5)c(/C=C/C(=O)N5CC=CCC5)c(C(F)(F)F)c4C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c3/C=C/C(=O)N3CC=CCC3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 13/20 0.42
ITGB2 P05107 12/20 0.42
ICAM1 P05362 12/20 0.42
NOTUM Q6P988 2/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
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
SCHEMBL6310419 0.88 ITGAL (0.47) ITGALITGB2ICAM1NOTUMLMNA
SCHEMBL6405996 0.88 ITGB2 (0.52) ITGALITGB2ICAM1
SCHEMBL6311209 0.88 ITGAL (0.45) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL6308758 0.87 ITGAL (0.40) ITGALITGB2ICAM1NOTUMALDH1A1
SCHEMBL6311400 0.81 ITGB2 (0.58) ITGALITGB2ICAM1
SCHEMBL6568656 0.81 ITGB2 (0.58) ITGALITGB2ICAM1
SCHEMBL6311959 0.79 ITGAL (0.40) ITGALITGB2ICAM1NOTUM
SCHEMBL6317178 0.79 NOTUM (0.37) ITGALITGB2ICAM1NOTUMPDK2
SCHEMBL6310845 0.79 ITGB2 (0.48) ITGALITGB2ICAM1
SCHEMBL6311223 0.79 ITGB2 (0.48) ITGALITGB2ICAM1

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 7 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

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 ITGAL 57/4885ITGB2 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.