Sugi Predict

Sugi Predict / Compounds / SCHEMBL6316872

SCHEMBL6316872

SCHEMBL6316872

O=C(O)/C=C/c1c(-c2cccc(Br)c2)cc(Sc2cc(-c3cccc(Br)c3)c(/C=C/C(=O)O)c(Cl)c2Cl)c(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB2 P05107 2/20 0.38
▸ ICAM1 P05362 2/20 0.38
▸ ITGAL P20701 2/20 0.38
▸ PTGER1 P34995 2/20 0.37
▸ PTGER3 P43115 2/20 0.37
▸ PTGER2 P43116 2/20 0.37
▸ HSD17B3 P37058 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ GCGR P47871 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ PLA2G1B P04054 2/20 0.32
▸ ATG4B Q9Y4P1 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL6195509 0.86 CCNC (0.36) HSD17B3MAPTALDH1A1LMNAPOLB
SCHEMBL6317608 0.81 RAB9A (0.48) ITGB2ICAM1ITGALPOLBCCNC
SCHEMBL6312899 0.80 ALDH1A1 (0.39) ITGB2ICAM1ITGALPTGER1PTGER3
SCHEMBL6312958 0.80 ITGB2 (0.41) ITGB2ICAM1ITGALPTGER1PTGER3
SCHEMBL6312345 0.79 ITGAL (0.34) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL6200061 0.77 KMO (0.43) MAPTALDH1A1KMT2AMAOB
SCHEMBL6312245 0.76 ITGB2 (0.42) ITGB2ICAM1ITGALPTGER1PTGER3
SCHEMBL6315906 0.74 SMN1; SMN2 (0.51) ITGB2ICAM1ITGALALDH1A1POLB
SCHEMBL5206465 0.71 PTGER1 (0.61) PTGER1PTGER3PTGER2HSD17B3MAPT
SCHEMBL7249342 0.71 PTGER1 (0.61) PTGER1PTGER3PTGER2HSD17B3MAPT

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