SCHEMBL4893722

SCHEMBL4893722

Nc1cccc(Sc2ccc(C=CC(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 20/20 1.00
ICAM1 P05362 20/20 1.00
ITGAL P20701 20/20 1.00

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
SCHEMBL14066354 1.00 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL4890594 0.90 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL14066369 0.90 ITGB2 (0.81) ITGB2ICAM1ITGAL
SCHEMBL5195705 0.89 ITGB2 (0.80) ITGB2ICAM1ITGAL
SCHEMBL14066353 0.86 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL4891518 0.86 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL7646849 0.86 ITGB2 (0.74) ITGB2ICAM1ITGAL
SCHEMBL14362506 0.85 ITGB2 (0.82) ITGB2ICAM1ITGAL
SCHEMBL14362566 0.85 ITGB2 (1.00) ITGB2ICAM1ITGAL
SCHEMBL14362488 0.85 ITGB2 (0.79) 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
US-20080234271-A1 Arylphenylamino- and Arylphenylether-Sulfide Derivatives, Useful For the Treatment of Inflammatory and Immune Diseases, and Pharmaceutical Compositions Containing Them ICOS CORPORATION (US) 2008-09-25 US disclosed
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 (2 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
US-20080234271-A1 Arylphenylamino- and Arylphenylether-Sulfide Derivatives, Useful For the Treatment of Inflammatory and Immune Diseases, and Pharmaceutical Compositions Containing Them HPGDS, AHR, TST ITGB2 3230/4885ICAM1 804/4885ITGAL 2858/4885

“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.