SCHEMBL6197403

SCHEMBL6197403

COC(=O)C1CCN(C(=O)/C=C/c2c(-c3ccc4c(ccn4C)c3)cc(Sc3cc(-c4ccc5c(ccn5C)c4)c(/C=C/C(=O)N4CCC(C(=O)OC)CC4)c(Cl)c3Cl)c(Cl)c2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 9/20 0.55
ITGB2 P05107 8/20 0.55
ICAM1 P05362 8/20 0.55
CCNC P24863 4/20 0.44
CDK8 P49336 4/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ENPP2 Q13822 2/20 0.40
AR P10275 1/20 0.35

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
SCHEMBL6196589 0.91 ITGB2 (0.53) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6197437 0.91 ITGAL (0.66) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6199405 0.88 ITGB2 (0.53) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6198445 0.87 ITGB2 (0.53) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6202870 0.83 ITGB2 (0.48) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6198429 0.83 ITGB2 (0.54) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6199336 0.83 HTT (0.51) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6310320 0.83 ITGB2 (0.51) ITGALITGB2ICAM1CCNCCDK8
SCHEMBL6197411 0.80 ITGAL (0.83) ITGALITGB2ICAM1NPC1RAB9A
SCHEMBL6219767 0.78 NPC1 (0.47) ITGALITGB2ICAM1CCNCCDK8

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 6 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 disclosed
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP 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
EP-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 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 ITGAL 57/4885ITGB2 32/4885ICAM1 1/4885

“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.