SCHEMBL6199715

SCHEMBL6199715

CC(C)c1ccccc1-c1cc(Sc2cc(-c3ccccc3C(C)C)c(/C=C/C(=O)N3CCCC(C(=O)O)C3)c(Cl)c2Cl)c(Cl)c(Cl)c1/C=C/C(=O)N1CCCC(C(=O)O)C1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 16/20 0.57
ITGB2 P05107 14/20 0.57
ICAM1 P05362 14/20 0.57
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
FDFT1 P37268 1/20 0.37

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
SCHEMBL6198410 0.90 ITGAL (0.66) ITGALITGB2ICAM1
SCHEMBL6200997 0.89 ITGAL (0.58) ITGALITGB2ICAM1ALDH1A1
SCHEMBL6196634 0.89 HTT (0.54) ITGALITGB2ICAM1MEN1ALDH1A1
SCHEMBL6196823 0.86 ITGAL (0.46) ITGALITGB2ICAM1MEN1ALDH1A1
SCHEMBL6219538 0.85 ITGAL (0.49) ITGALITGB2ICAM1MEN1ALDH1A1
SCHEMBL6197319 0.82 ITGAL (0.53) ITGALITGB2ICAM1
SCHEMBL6199718 0.81 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL6196464 0.80 SMN1; SMN2 (0.53) ITGALITGB2ICAM1ALDH1A1LMNA
SCHEMBL6220724 0.78 ITGAL (0.49) ITGALITGB2ICAM1MEN1ALDH1A1
SCHEMBL6199050 0.78 HTT (0.51) ITGALITGB2ICAM1MEN1ALDH1A1

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 10 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
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

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.