SCHEMBL6196886

SCHEMBL6196886

CCOC(=O)C1CCN(C(=O)/C=C/c2c(-c3ccccc3OC)cc(Sc3cc(-c4ccccc4OC)c(/C=C/C(=O)N4CCC(C(=O)OCC)CC4)c(C(F)(F)F)c3Cl)c(Cl)c2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ITGAL P20701 7/20 0.56
ITGB2 P05107 5/20 0.56
ICAM1 P05362 5/20 0.56
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.47
TSHR P16473 2/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 2/20 0.42
PKM P14618 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
SCHEMBL6317417 0.90 ITGAL (0.69) KDM4EITGALITGB2ICAM1NPC1
SCHEMBL6218974 0.85 KDM4E (0.59) KDM4EITGALITGB2ICAM1ALDH1A1
SCHEMBL6196889 0.83 ITGAL (0.81) KDM4EITGALITGB2ICAM1ALDH1A1
SCHEMBL7618530 0.83 ITGAL (0.81) KDM4EITGALITGB2ICAM1ALDH1A1
SCHEMBL6199452 0.82 ITGAL (0.68) KDM4EITGALITGB2ICAM1
SCHEMBL6318327 0.80 SMN1; SMN2 (0.55) KDM4EITGALITGB2ICAM1ALDH1A1
SCHEMBL6200934 0.80 ITGAL (0.66) KDM4EITGALITGB2ICAM1NPC1
SCHEMBL6196464 0.79 SMN1; SMN2 (0.53) KDM4EITGALITGB2ICAM1ALDH1A1
SCHEMBL6199614 0.78 ITGB2 (0.45) KDM4EITGALITGB2ICAM1ALDH1A1
SCHEMBL7857946 0.78 ITGB2 (0.45) KDM4EITGALITGB2ICAM1ALDH1A1

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 18 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
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP claimed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO claimed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 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
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 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 KDM4E 2941/4885ITGAL 57/4885ITGB2 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.