SCHEMBL5830337

SCHEMBL5830337

C=C(C(=O)N1CCN(C(C)=O)CC1)c1ccc(Sc2cccc(Cl)c2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 13/20 0.65
ITGB2 P05107 12/20 0.65
ICAM1 P05362 11/20 0.65
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
USP7 Q93009 1/20 0.46
USP47 Q96K76 1/20 0.46
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL6197553 0.93 ALDH1A1 (0.56) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL5830376 0.92 ITGB2 (0.64) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL5829924 0.87 ITGAL (0.64) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL5830516 0.85 ITGB2 (0.63) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL6200400 0.85 MAPT (0.57) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL6197137 0.85 ITGB2 (0.50) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL5829920 0.85 MAPT (0.65) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL6200004 0.85 ITGB2 (0.50) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL5830131 0.84 ITGB2 (0.64) ITGALITGB2ICAM1LMNAALDH1A1
SCHEMBL6198710 0.83 MAPT (0.49) ITGALITGB2ICAM1LMNAALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US claimed
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
US-RE39197-E1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2006-07-18 US disclosed
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
US-6110922-A ARYL SULFIDE CONTAINING PENDANT CIS- OR TRANS-CINNAMIDE GROUPS ABBOTT LABORATORIES (US) 2000-08-29 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.