SCHEMBL6196453

SCHEMBL6196453

C=C(C(=O)NC1CN(C(=O)OC(C)(C)C)CC1O)c1ccc(Sc2ccccc2OCC)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.40
USP30 Q70CQ3 1/20 0.38
ITGB2 P05107 14/20 0.37
ICAM1 P05362 14/20 0.37
ITGAL P20701 14/20 0.37
GPR119 Q8TDV5 1/20 0.34
ADAM17 P78536 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
TACR1 P25103 1/20 0.33

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
SCHEMBL6196458 0.83 ITGAL (0.42) DGAT2USP30ITGB2ICAM1ITGAL
SCHEMBL6198005 0.77 ITGB2 (0.50) ITGB2ICAM1ITGAL
SCHEMBL6196465 0.76 ITGAL (0.53) ITGB2ICAM1ITGAL
SCHEMBL6196692 0.75 ITGB2 (0.44) ITGB2ICAM1ITGAL
SCHEMBL6199011 0.75 ITGB2 (0.41) ITGB2ICAM1ITGAL
SCHEMBL6199381 0.73 ITGB2 (0.40) ITGB2ICAM1ITGAL
SCHEMBL6194863 0.72 MAPT (0.43) ITGB2ICAM1ITGAL
SCHEMBL7847220 0.71 HDAC4 (0.42) ITGB2ICAM1ITGALGPR119
SCHEMBL6196381 0.71 ALDH1A1 (0.46) ITGB2ICAM1ITGAL
SCHEMBL6197899 0.71 ITGB2 (0.37) DGAT2USP30ITGB2ICAM1ITGAL

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
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-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
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 DGAT2 2664/4885USP30 3215/4885ITGB2 32/4885

“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.