SCHEMBL6311167

SCHEMBL6311167

COc1ccccc1-c1cc(Sc2cc(-c3ccccc3OC)c(/C=C/C(=O)N3CCC(C(=O)NO)CC3)c(Cl)c2Cl)c(Cl)c(Cl)c1/C=C/C(=O)N1CCC(C(=O)NO)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 11/20 0.54
ITGB2 P05107 7/20 0.54
ICAM1 P05362 7/20 0.54
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
APOBEC3A P31941 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PTGS2 P35354 3/20 0.43
PTGS1 P23219 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL6200934 0.90 ITGAL (0.66) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6199584 0.89 ITGAL (0.53) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6312233 0.85 HPGD (0.53) ITGALITGB2ICAM1KDM4EPTGS2
SCHEMBL6308774 0.85 ITGAL (0.51) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL7618219 0.85 NPC1 (0.50) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6199471 0.84 ITGAL (0.50) ITGALITGB2ICAM1KDM4EALDH1A1
SCHEMBL6196146 0.82 TDP1 (0.52) ITGALITGB2ICAM1HPGD
SCHEMBL6199028 0.81 ITGAL (0.56) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6569777 0.81 ITGAL (0.82) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6317417 0.81 ITGAL (0.69) ITGALITGB2ICAM1NPC1RAB9A

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 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.