SCHEMBL7150944

SCHEMBL7150944

CC(C)c1ccccc1-c1cc(Sc2cc(-c3ccccc3C(C)C)c([C@@H]3C[C@H]3C(=O)N3CCCC3)c(Cl)c2Cl)c(Cl)c(Cl)c1[C@@H]1C[C@H]1C(=O)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.52
ICAM1 P05362 8/20 0.52
ITGAL P20701 8/20 0.52
HRH3 Q9Y5N1 7/20 0.39
SIGMAR1 Q99720 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APP P05067 1/20 0.35

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
SCHEMBL7145900 0.98 ITGB2 (0.52) ITGB2ICAM1ITGALHRH3SIGMAR1
SCHEMBL7144904 0.92 ITGB2 (0.51) ITGB2ICAM1ITGALHRH3MEN1
SCHEMBL7141580 0.90 ITGAL (0.67) ITGB2ICAM1ITGALHRH3SIGMAR1
SCHEMBL7141565 0.86 ITGB2 (0.68) ITGB2ICAM1ITGALTSHR
SCHEMBL7143429 0.86 ITGB2 (0.46) ITGB2ICAM1ITGAL
SCHEMBL7144872 0.81 ITGB2 (0.44) ITGB2ICAM1ITGALSIGMAR1MEN1
SCHEMBL7146694 0.77 ITGB2 (0.66) ITGB2ICAM1ITGALSIGMAR1
SCHEMBL7146813 0.77 ITGB2 (0.51) ITGB2ICAM1ITGALSIGMAR1ALDH1A1
SCHEMBL7147400 0.76 ITGB2 (0.67) ITGB2ICAM1ITGALSIGMAR1
SCHEMBL6199715 0.68 ITGAL (0.57) ITGB2ICAM1ITGALMEN1ALDH1A1

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-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
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 disclosed
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
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 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 ITGB2 120/4885ICAM1 1/4885ITGAL 166/4885

“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.