SCHEMBL6198643

SCHEMBL6198643

O=C(O)/C=C/c1ccc(Sc2ccccc2Br)c(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 15/20 0.69
ICAM1 P05362 15/20 0.69
ITGAL P20701 15/20 0.69
PDE7A Q13946 2/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
PLA2G4A P47712 1/20 0.44
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL6198651 1.00 ITGB2 (0.69) ITGB2ICAM1ITGALPDE7AAKR1C3
SCHEMBL5830036 0.81 ITGAL (0.63) ITGB2ICAM1ITGAL
SCHEMBL27492722 0.81 ITGAL (0.63) ITGB2ICAM1ITGAL
SCHEMBL6199429 0.79 ITGAL (0.60) ITGB2ICAM1ITGAL
SCHEMBL27474411 0.79 ITGAL (0.60) ITGB2ICAM1ITGAL
SCHEMBL6312964 0.77 ITGB2 (0.52) ITGB2ICAM1ITGALPDE7AHDAC3
SCHEMBL5836088 0.77 ITGAL (0.71) ITGB2ICAM1ITGAL
SCHEMBL7647365 0.77 ITGAL (0.71) ITGB2ICAM1ITGAL
SCHEMBL29899637 0.77 AKR1C3 (0.67) ITGB2ICAM1ITGALAKR1C3AKR1C2
SCHEMBL16634142 0.77 AKR1C3 (0.67) ITGB2ICAM1ITGALAKR1C3AKR1C2

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 5 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-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
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.