SCHEMBL5451106

SCHEMBL5451106

O=C(C=CN1CCOCC1)c1ccc(Sc2ccccc2OC2CCNCC2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 19/20 0.68
ICAM1 P05362 19/20 0.68
ITGAL P20701 19/20 0.68
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL5447059 0.93 ITGB2 (0.66) ITGB2ICAM1ITGALKDM4ELMNA
SCHEMBL5220946 0.92 ITGB2 (0.67) ITGB2ICAM1ITGALKDM4ELMNA
SCHEMBL5447064 0.90 ITGB2 (0.68) ITGB2ICAM1ITGALKDM4ELMNA
SCHEMBL5445554 0.90 ITGB2 (0.68) ITGB2ICAM1ITGALKDM4ELMNA
SCHEMBL5453167 0.90 ITGB2 (0.68) ITGB2ICAM1ITGALKDM4ELMNA
SCHEMBL5451863 0.85 ITGB2 (0.68) ITGB2ICAM1ITGAL
SCHEMBL5451111 0.81 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL14362568 0.81 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL5451150 0.80 ITGB2 (0.67) ITGB2ICAM1ITGALMAPT
SCHEMBL4895827 0.80 NPC1 (0.44) ITGB2ICAM1ITGALMAPT

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.