SCHEMBL6310686

SCHEMBL6310686

CC(C)[Si](Sc1ccc(/C=C/C(=O)O)c(Cl)c1Cl)(C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.39
ICAM1 P05362 8/20 0.39
ITGAL P20701 8/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
MET P08581 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NFKB1 P19838 1/20 0.34
CA4 P22748 1/20 0.34
MIF P14174 1/20 0.34
PTGES O14684 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ESR1 P03372 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL6310691 1.00 ITGB2 (0.39) ITGB2ICAM1ITGALKDM4EMAPK1
SCHEMBL6240290 0.79 ITGB2 (0.43) ITGB2ICAM1ITGALKDM4EMAPK1
SCHEMBL6240293 0.79 ITGB2 (0.43) ITGB2ICAM1ITGALKDM4EMAPK1
SCHEMBL6568833 0.79 ITGB2 (0.52) ITGB2ICAM1ITGALCA1CA2
SCHEMBL6817329 0.79 ITGB2 (0.52) ITGB2ICAM1ITGALCA1CA2
SCHEMBL3954647 0.70 PTGER3 (0.49) ITGB2ICAM1ITGALKDM4EMAPK1
SCHEMBL6238622 0.69 PLA2G4A (0.43) ITGB2ICAM1ITGALKDM4EALDH1A1
SCHEMBL6312254 0.69 ITGB2 (0.53) ITGB2ICAM1ITGALKDM4EMAPK1
SCHEMBL6238628 0.69 PLA2G4A (0.43) ITGB2ICAM1ITGALKDM4EALDH1A1
SCHEMBL16048819 0.69 CA1 (0.53) KDM4EMAPK1ALDH1A1GAACA1

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 7 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
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 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.