SCHEMBL7141584

SCHEMBL7141584

CC(C)c1ccccc1Sc1ccc(C2(C(=O)N3CCC(C(=O)O)CC3)CC2)c(Cl)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 18/20 0.63
ITGB2 P05107 17/20 0.63
ICAM1 P05362 17/20 0.63
HSD11B1 P28845 1/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL7145901 0.88 ITGB2 (0.48) ITGALITGB2ICAM1HSD11B1
SCHEMBL7150948 0.88 ITGB2 (0.48) ITGALITGB2ICAM1HSD11B1
SCHEMBL7144912 0.86 ITGB2 (0.46) ITGALITGB2ICAM1
SCHEMBL7141569 0.83 ITGB2 (0.64) ITGALITGB2ICAM1HSD11B1
SCHEMBL7144908 0.81 ITGB2 (0.44) ITGALITGB2ICAM1
SCHEMBL7166029 0.79 ITGAL (0.49) ITGALITGB2ICAM1
SCHEMBL6198105 0.78 ITGAL (0.66) ITGALITGB2ICAM1RAB9A
SCHEMBL6198419 0.77 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL7146696 0.77 ITGB2 (0.46) ITGALITGB2ICAM1
SCHEMBL7146698 0.73 ITGB2 (0.60) ITGALITGB2ICAM1

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
EP-1294685-A1 ARYL PHENYCYCLOPROPYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2003-03-26 EP claimed
US-6521619-B2 Bind to the interaction-domain of integrin lfa-1 interrupting enothelial cell-leukocyte adhesion ICOS CORPORATION 2003-02-18 US claimed
US-20020156314-A1 Aryl phenylcyclopropyl sulfide derivatives and their use as cell adhesion inhibiting anti-inflammatory and immune suppressive agents ICOS CORPORATION 2002-10-24 US claimed
WO-2002002522-A1 ARYL PHENYCYCLOPROPYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 2002-01-10 WO claimed
US-6521619-B2 Bind to the interaction-domain of integrin lfa-1 interrupting enothelial cell-leukocyte adhesion ICOS CORPORATION 2003-02-18 US disclosed
US-20020156314-A1 Aryl phenylcyclopropyl sulfide derivatives and their use as cell adhesion inhibiting anti-inflammatory and immune suppressive agents ICOS CORPORATION 2002-10-24 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-20020156314-A1 Aryl phenylcyclopropyl sulfide derivatives and their use as cell adhesion inhibiting anti-inflammatory and immune suppressive agents ICAM1, VCAM1, CD47 ITGAL 166/4885ITGB2 120/4885ICAM1 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.