SCHEMBL5458546

SCHEMBL5458546

O=C(C=CN1CCOCC1)c1ccc(Sc2ccccc2OCc2cccnc2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 18/20 0.70
ICAM1 P05362 18/20 0.70
ITGAL P20701 18/20 0.70
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
PRKDC P78527 1/20 0.39

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
SCHEMBL5454772 0.91 ITGB2 (0.69) ITGB2ICAM1ITGALPPARGPPARD
SCHEMBL5451150 0.91 ITGB2 (0.67) ITGB2ICAM1ITGAL
SCHEMBL5450311 0.86 ITGB2 (0.69) ITGB2ICAM1ITGALPRKDC
SCHEMBL5446980 0.83 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL14362557 0.82 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5458550 0.82 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL4896772 0.79 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL5447059 0.79 ITGB2 (0.66) ITGB2ICAM1ITGAL
SCHEMBL4895827 0.78 NPC1 (0.44) ITGB2ICAM1ITGAL
SCHEMBL5220946 0.77 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259863-A1 Arylphenylamino-,Arylphenylamide-, and Arylphenylether-Sulfide Derivatives ICOS CORPORATION (US) 2007-11-08 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-20070259863-A1 Arylphenylamino-,Arylphenylamide-, and Arylphenylether-Sulfide Derivatives AHR, ARSA, TST ITGB2 3194/4885ICAM1 1146/4885ITGAL 2966/4885

“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.