SCHEMBL6956020

SCHEMBL6956020

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 16/20 0.53
ICAM1 P05362 16/20 0.53
ITGAL P20701 16/20 0.53
TYR P14679 2/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL5421581 0.85 ITGB2 (0.50) ITGB2ICAM1ITGALALDH1A1
SCHEMBL7021938 0.79 ITGB2 (0.44) ITGB2ICAM1ITGAL
SCHEMBL6198986 0.77 ITGAL (0.56) ITGB2ICAM1ITGALALDH1A1
SCHEMBL6069145 0.75 ITGB2 (0.48) ITGB2ICAM1ITGALALDH1A1
SCHEMBL30389926 0.75 GABRA1 (0.48) ITGB2ICAM1ITGALTSHR
SCHEMBL4808650 0.75 GABRA1 (0.48) ITGB2ICAM1ITGALTSHR
SCHEMBL6197325 0.73 ITGAL (0.76) ITGB2ICAM1ITGAL
SCHEMBL9654617 0.72 LMNA (0.41) TYRALDH1A1TSHR
SCHEMBL5426358 0.71 ITGB2 (0.47) ITGB2ICAM1ITGALALDH1A1
SCHEMBL7143425 0.68 ITGAL (0.74) 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
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.