SCHEMBL7144904

SCHEMBL7144904

CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2c(-c3ccccc3C(C)C)cc(Sc3cc(-c4ccccc4C(C)C)c([C@@H]4C[C@H]4C(=O)N4CCN(C(C)=O)CC4)c(Cl)c3Cl)c(Cl)c2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 14/20 0.51
ICAM1 P05362 14/20 0.51
ITGAL P20701 14/20 0.51
HRH3 Q9Y5N1 3/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
USP1 O94782 2/20 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 0.92 ITGB2 (0.52) ITGB2ICAM1ITGALHRH3MEN1
SCHEMBL7150944 0.92 ITGB2 (0.52) ITGB2ICAM1ITGALHRH3MEN1
SCHEMBL7141580 0.88 ITGAL (0.67) ITGB2ICAM1ITGALHRH3MEN1
SCHEMBL7143429 0.84 ITGB2 (0.46) ITGB2ICAM1ITGAL
SCHEMBL7141565 0.81 ITGB2 (0.68) ITGB2ICAM1ITGALTSHR
SCHEMBL7144872 0.77 ITGB2 (0.44) ITGB2ICAM1ITGALMEN1TSHR
SCHEMBL7146694 0.76 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL7146813 0.76 ITGB2 (0.51) ITGB2ICAM1ITGALALDH1A1
SCHEMBL6197319 0.75 ITGAL (0.53) ITGB2ICAM1ITGAL
SCHEMBL7147400 0.75 ITGB2 (0.67) ITGB2ICAM1ITGAL

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 4 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
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 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.