SCHEMBL6317799

SCHEMBL6317799

CN(C)NS(=O)(=O)N1CCN(C(=O)/C=C/c2c(-c3cccc(N4CCC(C(=O)O)CC4)c3)cc(Sc3cc(-c4cccc(N5CCC(C(=O)O)CC5)c4)c(/C=C/C(=O)N4CCN(S(=O)(=O)NN(C)C)CC4)c(Cl)c3Cl)c(Cl)c2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 11/20 0.40
ITGB2 P05107 8/20 0.40
ICAM1 P05362 8/20 0.40
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 1/20 0.35
F10 P00742 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOTUM Q6P988 1/20 0.34
NPY5R Q15761 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 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
SCHEMBL6308947 0.86 ITGAL (0.45) ITGALITGB2ICAM1ALDH1A1RAB9A
SCHEMBL6317367 0.85 TDP1 (0.47) ITGALITGB2ICAM1ALDH1A1RAB9A
SCHEMBL6309507 0.85 ITGAL (0.46) ITGALITGB2ICAM1RAB9AF10
SCHEMBL6311336 0.84 POLB (0.44) ITGALITGB2ICAM1RAB9A
SCHEMBL6310428 0.84 ITGAL (0.45) ITGALITGB2ICAM1ALDH1A1RAB9A
SCHEMBL6311416 0.83 ITGAL (0.41) ITGALITGB2ICAM1ALDH1A1RAB9A
SCHEMBL6570079 0.83 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL6317804 0.83 ITGAL (0.54) ITGALITGB2ICAM1
SCHEMBL6197595 0.82 ITGAL (0.46) ITGALITGB2ICAM1RAB9A
SCHEMBL6308758 0.81 ITGAL (0.40) ITGALITGB2ICAM1ALDH1A1RAB9A

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
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 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.