SCHEMBL6308792

SCHEMBL6308792

COc1ccccc1Sc1ccc(C=CC(=O)N2CCC(N3CCCC3)CC2)c(Cl)c1Cl

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 16/20 0.77
ITGB2 P05107 11/20 0.77
ICAM1 P05362 11/20 0.77
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL7619374 1.00 ITGAL (0.77) ITGALITGB2ICAM1HPGDNPC1
SCHEMBL6312238 0.90 ITGAL (0.81) ITGALITGB2ICAM1HPGDMAPT
SCHEMBL6279117 0.88 ITGAL (0.81) ITGALITGB2ICAM1HPGDNPC1
SCHEMBL4283189 0.87 ITGAL (1.00) ITGALITGB2ICAM1HPGDNPC1
SCHEMBL4283196 0.87 ITGAL (1.00) ITGALITGB2ICAM1HPGDNPC1
SCHEMBL6310671 0.86 ITGAL (0.65) ITGALITGB2ICAM1HPGDKDM4E
SCHEMBL4289313 0.86 ITGAL (0.78) ITGALITGB2ICAM1HPGDNPC1
SCHEMBL4289320 0.86 ITGAL (0.78) ITGALITGB2ICAM1HPGDNPC1
SCHEMBL6569777 0.85 ITGAL (0.82) ITGALITGB2ICAM1HPGDNPC1
SCHEMBL6199480 0.84 ITGAL (0.79) ITGALITGB2ICAM1HPGDKDM4E

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 12 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-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 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
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 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.