SCHEMBL5451150

SCHEMBL5451150

O=C(C=CN1CCOCC1)c1ccc(Sc2ccccc2OCc2ccccc2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 18/20 0.67
ICAM1 P05362 18/20 0.67
ITGAL P20701 18/20 0.67
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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 0.93 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL5458546 0.91 ITGB2 (0.70) ITGB2ICAM1ITGAL
SCHEMBL5450311 0.88 ITGB2 (0.69) ITGB2ICAM1ITGAL
SCHEMBL5446980 0.86 ITGB2 (0.54) ITGB2ICAM1ITGAL
SCHEMBL5447640 0.85 ITGB2 (0.69) ITGB2ICAM1ITGALALDH1A1
SCHEMBL5447059 0.83 ITGB2 (0.66) ITGB2ICAM1ITGALMAPT
SCHEMBL4895827 0.82 NPC1 (0.44) ITGB2ICAM1ITGALMEN1NPC1
SCHEMBL5220946 0.82 ITGB2 (0.67) ITGB2ICAM1ITGALMAPT
SCHEMBL5196357 0.81 ITGB2 (0.44) ITGB2ICAM1ITGALMEN1NPC1
SCHEMBL5453167 0.80 ITGB2 (0.68) ITGB2ICAM1ITGALALDH1A1MAPT

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.