SCHEMBL6317772

SCHEMBL6317772

C=C(C(=O)N1CCN(S(=O)(=O)NN(C)C)CC1)c1ccc(Sc2cccc(N3CCC(C(=O)O)CC3)c2)c(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
NOTUM Q6P988 3/20 0.35
NPY5R Q15761 4/20 0.35
ITGB2 P05107 6/20 0.35
ICAM1 P05362 6/20 0.35
ITGAL P20701 6/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PTK2 Q05397 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL6308942 0.85 NOTUM (0.43) ALDH1A1NOTUMITGB2ICAM1ITGAL
SCHEMBL6570079 0.84 ITGAL (0.54) ITGB2ICAM1ITGAL
SCHEMBL6317804 0.84 ITGAL (0.54) ITGB2ICAM1ITGAL
SCHEMBL6317373 0.84 NOTUM (0.39) ALDH1A1NOTUMITGB2ICAM1ITGAL
SCHEMBL6309479 0.83 NOTUM (0.41) ALDH1A1NOTUMITGB2ICAM1ITGAL
SCHEMBL6311393 0.83 ITGAL (0.40) ALDH1A1NOTUMITGB2ICAM1ITGAL
SCHEMBL6311315 0.82 ITGAL (0.42) NOTUMITGB2ICAM1ITGAL
SCHEMBL6310410 0.82 NOTUM (0.41) ALDH1A1NOTUMITGB2ICAM1ITGAL
SCHEMBL6311421 0.81 NOTUM (0.38) ALDH1A1NOTUMITGB2ICAM1ITGAL
SCHEMBL6197601 0.81 ITGAL (0.44) NOTUMITGB2ICAM1ITGAL

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 11 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
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO 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 ALDH1A1 484/4885NOTUM 1767/4885NPY5R 4520/4885

“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.