SCHEMBL5196357

SCHEMBL5196357

Nc1ccccc1Sc1ccc(C(=O)C=CN2CCOCC2)c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 15/20 0.44
ICAM1 P05362 15/20 0.44
ITGAL P20701 15/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 2/20 0.43
IDO1 P14902 1/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 3/20 0.41
USP2 O75604 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL4895827 0.89 NPC1 (0.44) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL4893719 0.84 ITGB2 (0.63) ITGB2ICAM1ITGAL
SCHEMBL5447059 0.82 ITGB2 (0.66) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL5451150 0.81 ITGB2 (0.67) ITGB2ICAM1ITGALNPC1RAB9A
SCHEMBL4890590 0.81 ITGB2 (0.50) ITGB2ICAM1ITGAL
SCHEMBL5220946 0.81 ITGB2 (0.67) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL5453167 0.79 ITGB2 (0.68) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL5447064 0.79 ITGB2 (0.68) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL5451106 0.79 ITGB2 (0.68) ITGB2ICAM1ITGALMAPTLMNA
SCHEMBL5446494 0.79 ITGB2 (0.52) 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 3 patents. 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
EP-1740565-A2 ARYLPHENYLAMINO-, ARYLPHENYLAMIDE-, AND ARYLPHENYLETHER-SUFIDE DERIVATIVES ICOS Corporation (US) 2007-01-10 EP disclosed
WO-2005105770-A2 ARYLPHENYLAMINO-, ARYLPHENYLAMIDE-, AND ARYLPHENYLETHER-SULFIDE DERIVATIVES ICOS CORPORATION (US) 2005-11-10 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-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.