SCHEMBL6201452

SCHEMBL6201452

CCOc1ccccc1-c1c(/C=C/C(=O)NCCCN2CCCC2=O)ccc(Sc2ccc(/C=C/C(=O)NCCCN3CCCC3=O)c(-c3ccccc3OCC)c2C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 12/20 0.53
ICAM1 P05362 12/20 0.53
ITGAL P20701 12/20 0.53
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.40
TYRO3 Q06418 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5830373 0.89 ITGB2 (0.56) ITGB2ICAM1ITGALL3MBTL1SMN1; SMN2
SCHEMBL6198401 0.88 ITGB2 (0.54) ITGB2ICAM1ITGALL3MBTL1SMN1; SMN2
SCHEMBL6222314 0.85 ITGB2 (0.45) ITGB2ICAM1ITGALL3MBTL1SMN1; SMN2
SCHEMBL6309800 0.80 ITGB2 (0.58) ITGB2ICAM1ITGALL3MBTL1SMN1; SMN2
SCHEMBL6198618 0.76 ITGB2 (0.63) ITGB2ICAM1ITGALL3MBTL1SMN1; SMN2
SCHEMBL6202271 0.75 ITGB2 (0.49) ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL6201301 0.75 ITGAL (0.51) ITGB2ICAM1ITGAL
SCHEMBL6196467 0.75 ITGAL (0.51) ITGB2ICAM1ITGAL
SCHEMBL6198324 0.74 ITGB2 (0.54) ITGB2ICAM1ITGALL3MBTL1SMN1; SMN2
SCHEMBL6198010 0.74 ITGAL (0.51) ITGB2ICAM1ITGAL

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 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.