SCHEMBL6312245

SCHEMBL6312245

O=C(O)/C=C/c1c(-c2ccccc2O)cc(Sc2cc(-c3ccccc3O)c(/C=C/C(=O)O)c(Cl)c2Cl)c(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.42
ICAM1 P05362 3/20 0.42
ITGAL P20701 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
NFKB1 P19838 2/20 0.42
CA4 P22748 2/20 0.42
PTGER3 P43115 3/20 0.39
PTGER2 P43116 3/20 0.39
PTGER1 P34995 2/20 0.39
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 2/20 0.36
PKM P14618 2/20 0.36
G6PD P11413 1/20 0.36
RECQL P46063 1/20 0.36
CCR6 P51684 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL6312958 0.86 ITGB2 (0.41) ITGB2ICAM1ITGALCA1CA2
SCHEMBL6309658 0.80 ITGAL (0.52) ITGB2ICAM1ITGALKDM4EPOLB
SCHEMBL6315964 0.80 ITGAL (0.53) ITGB2ICAM1ITGAL
SCHEMBL6316872 0.76 ITGB2 (0.38) ITGB2ICAM1ITGALPTGER3PTGER2
SCHEMBL6310544 0.72 KDM4E (0.34) ITGB2ICAM1ITGALCA1CA2
SCHEMBL6312254 0.70 ITGB2 (0.53) ITGB2ICAM1ITGALCA1CA2
SCHEMBL6199614 0.70 ITGB2 (0.45) ITGB2ICAM1ITGALCA1CA2
SCHEMBL7857946 0.70 ITGB2 (0.45) ITGB2ICAM1ITGALCA1CA2
SCHEMBL8641080 0.69 NFKB1 (0.72) CA1CA2NFKB1CA4PTGER3
SCHEMBL30775527 0.68 KDM4E (0.64) CA1CA2NFKB1CA4KDM4E

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 6 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 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 ITGB2 32/4885ICAM1 1/4885ITGAL 57/4885

“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.