SCHEMBL6201455

SCHEMBL6201455

C=C(C(=O)NCCCN1CCCC1=O)c1ccc(Sc2ccccc2OCC)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 9/20 0.51
ICAM1 P05362 9/20 0.51
ITGAL P20701 9/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 2/20 0.44
ATM Q13315 1/20 0.44
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
TYRO3 Q06418 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL5830370 0.88 ITGB2 (0.54) ITGB2ICAM1ITGALALDH1A1NPC1
SCHEMBL6198403 0.88 ITGB2 (0.54) ITGB2ICAM1ITGALSMN1; SMN2NPC1
SCHEMBL6309800 0.83 ITGB2 (0.58) ITGB2ICAM1ITGALSMN1; SMN2L3MBTL1
SCHEMBL6310390 0.76 ITGB2 (0.44) ITGB2ICAM1ITGALSMN1; SMN2NPC1
SCHEMBL6198619 0.75 ITGB2 (0.57) ITGB2ICAM1ITGALSMN1; SMN2NPC1
SCHEMBL6196465 0.74 ITGAL (0.53) ITGB2ICAM1ITGALKDM4EMAPT
SCHEMBL6202274 0.74 ITGB2 (0.44) ITGB2ICAM1ITGALSMN1; SMN2NPC1
SCHEMBL6198327 0.74 ITGB2 (0.53) ITGB2ICAM1ITGALSMN1; SMN2L3MBTL1
SCHEMBL6198005 0.73 ITGB2 (0.50) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL5830523 0.73 ITGB2 (0.65) ITGB2ICAM1ITGALSMN1; SMN2NPC1

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.