SCHEMBL7144870

SCHEMBL7144870

CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NC2CCC2)c(Cl)c1Cl

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 10/20 0.70
ICAM1 P05362 10/20 0.70
ITGAL P20701 10/20 0.70
HPGD P15428 2/20 0.44
SIGMAR1 Q99720 1/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
EPHX1 P07099 1/20 0.33
NFKB1 P19838 1/20 0.33
EPHX2 P34913 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL7143425 0.83 ITGAL (0.74) ITGB2ICAM1ITGAL
SCHEMBL7144872 0.79 ITGB2 (0.44) ITGB2ICAM1ITGALHPGDSIGMAR1
SCHEMBL7170387 0.69 ITGB2 (0.61) ITGB2ICAM1ITGAL
SCHEMBL6069145 0.66 ITGB2 (0.48) ITGB2ICAM1ITGALMAPT
SCHEMBL6956020 0.65 ITGB2 (0.53) ITGB2ICAM1ITGALTSHR
SCHEMBL7135305 0.65 ITGB2 (0.60) ITGB2ICAM1ITGALSIGMAR1MAPT
SCHEMBL7170389 0.64 ITGB2 (0.75) ITGB2ICAM1ITGALSIGMAR1
SCHEMBL19701952 0.64 HPGD (0.57) HPGDSIGMAR1
SCHEMBL6194900 0.64 ITGB2 (0.49) ITGB2ICAM1ITGAL
SCHEMBL6194902 0.63 ITGB2 (0.62) 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.