SCHEMBL6196883

SCHEMBL6196883

C=C(C(=O)N1CCC(C(=O)OCC)CC1)c1ccc(Sc2ccccc2OC)c(Cl)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.56
ICAM1 P05362 4/20 0.56
ITGAL P20701 4/20 0.56
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 3/20 0.41
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6317415 0.89 ITGAL (0.70) ITGB2ICAM1ITGALKDM4EKMT2A
SCHEMBL7618530 0.83 ITGAL (0.81) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL6196889 0.83 ITGAL (0.81) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL6198270 0.81 ITGAL (0.66) ITGB2ICAM1ITGALKDM4EKMT2A
SCHEMBL6318322 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EGAAKMT2AMEN1
SCHEMBL6199010 0.79 ITGAL (0.64) ITGB2ICAM1ITGALKMT2AMEN1
SCHEMBL6199611 0.78 ITGB2 (0.52) ITGB2ICAM1ITGALKDM4ETSHR
SCHEMBL6196460 0.78 ITGB2 (0.51) ITGB2ICAM1ITGALALDH1A1KDM4E
SCHEMBL6199566 0.75 ITGAL (0.51) ITGB2ICAM1ITGALALDH1A1TSHR
SCHEMBL6199026 0.75 ITGAL (0.52) ITGB2ICAM1ITGALALDH1A1KMT2A

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 12 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
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO 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.