SCHEMBL5830219

SCHEMBL5830219

C=C(C(=O)NCCCCCCO)c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 12/20 0.59
ICAM1 P05362 12/20 0.59
ITGAL P20701 12/20 0.59
ALPL P05186 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
CDK1 P06493 1/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 2/20 0.38

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
SCHEMBL5830953 0.91 ITGB2 (0.57) ITGB2ICAM1ITGALALPL
SCHEMBL5830926 0.86 ITGB2 (0.61) ITGB2ICAM1ITGALALPLCDK1
SCHEMBL6570114 0.80 ITGB2 (0.49) ITGB2ICAM1ITGALALPLL3MBTL1
SCHEMBL5830523 0.78 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL5830227 0.74 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5830304 0.74 ITGB2 (0.56) ITGB2ICAM1ITGALALPL
SCHEMBL5830251 0.73 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL5829927 0.73 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL5830932 0.72 ITGB2 (1.00) ITGB2ICAM1ITGALL3MBTL1MAPK1
SCHEMBL6763181 0.70 ITGB2 (0.98) ITGB2ICAM1ITGALL3MBTL1MAPK1

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-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US claimed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed
US-6878700-B1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-04-12 US claimed
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US disclosed
US-20050250768-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2005-11-10 US disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP 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
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
US-6110922-A ARYL SULFIDE CONTAINING PENDANT CIS- OR TRANS-CINNAMIDE GROUPS ABBOTT LABORATORIES (US) 2000-08-29 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.