SCHEMBL7144872

SCHEMBL7144872

CC(C)c1ccccc1-c1cc(Sc2cc(-c3ccccc3C(C)C)c([C@@H]3C[C@H]3C(=O)NC3CCC3)c(Cl)c2Cl)c(Cl)c(Cl)c1[C@@H]1C[C@H]1C(=O)NC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 8/20 0.44
ICAM1 P05362 8/20 0.44
ITGAL P20701 8/20 0.44
HPGD P15428 1/20 0.42
SIGMAR1 Q99720 1/20 0.35
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.34
KDM5A P29375 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
USP1 O94782 1/20 0.32

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
SCHEMBL7143429 0.84 ITGB2 (0.46) ITGB2ICAM1ITGALFFAR1CYP2C8
SCHEMBL7146813 0.81 ITGB2 (0.51) ITGB2ICAM1ITGALSIGMAR1FFAR1
SCHEMBL7146694 0.81 ITGB2 (0.66) ITGB2ICAM1ITGALSIGMAR1FFAR1
SCHEMBL7150944 0.81 ITGB2 (0.52) ITGB2ICAM1ITGALSIGMAR1TSHR
SCHEMBL7145900 0.81 ITGB2 (0.52) ITGB2ICAM1ITGALSIGMAR1TSHR
SCHEMBL7144870 0.79 ITGB2 (0.70) ITGB2ICAM1ITGALHPGDSIGMAR1
SCHEMBL7144904 0.77 ITGB2 (0.51) ITGB2ICAM1ITGALTSHRMEN1
SCHEMBL7141580 0.77 ITGAL (0.67) ITGB2ICAM1ITGALSIGMAR1TSHR
SCHEMBL7141565 0.77 ITGB2 (0.68) ITGB2ICAM1ITGALTSHRFFAR1
SCHEMBL7165511 0.61 ITGB2 (0.50) ITGB2ICAM1ITGALFFAR1

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.