SCHEMBL6200024

SCHEMBL6200024

C=C(C(=O)N1CCCCC1C(=O)O)c1ccc(Sc2ccc3c(c2)CCOO3)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 7/20 0.37
ICAM1 P05362 7/20 0.37
ITGAL P20701 7/20 0.37
MCL1 Q07820 1/20 0.31

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
SCHEMBL6197945 0.87 ITGAL (0.44) ITGB2ICAM1ITGAL
SCHEMBL6197612 0.79 ITGAL (0.36) ITGB2ICAM1ITGAL
SCHEMBL6199134 0.77 MEN1 (0.40) ITGAL
SCHEMBL7612914 0.77 ITGAL (0.55) ITGB2ICAM1ITGAL
SCHEMBL6311930 0.73 ITGAL (0.52) ITGB2ICAM1ITGAL
SCHEMBL6199356 0.72 ITGAL (0.36) ITGB2ICAM1ITGALMCL1
SCHEMBL6196887 0.71 ITGAL (0.50) ITGB2ICAM1ITGAL
SCHEMBL6196674 0.70 ITGAL (0.39) ITGB2ICAM1ITGAL
SCHEMBL6196026 0.70 ITGAL (0.47) ITGB2ICAM1ITGAL
SCHEMBL6200022 0.70 CYP2C9 (0.34)

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
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

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.