SCHEMBL5458557

SCHEMBL5458557

O=C(O)Cc1ccc(NC(=O)C=Cc2ccc(Sc3cccc(NS(=O)(=O)c4ccccc4)c3)c(C(F)(F)F)c2C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 17/20 0.45
ICAM1 P05362 17/20 0.45
ITGAL P20701 17/20 0.45
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CASP6 P55212 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40

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
SCHEMBL14362440 1.00 ITGB2 (0.45) ITGB2ICAM1ITGALMEN1LMNA
SCHEMBL5197472 0.85 ITGB2 (0.52) ITGB2ICAM1ITGAL
SCHEMBL5449124 0.85 ITGB2 (0.50) ITGB2ICAM1ITGAL
SCHEMBL14362528 0.85 ITGB2 (0.50) ITGB2ICAM1ITGAL
SCHEMBL5307189 0.81 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL14362597 0.81 ITGB2 (0.65) ITGB2ICAM1ITGAL
SCHEMBL5450226 0.81 ITGB2 (0.50) ITGB2ICAM1ITGAL
SCHEMBL14362404 0.80 ITGB2 (0.46) ITGB2ICAM1ITGALHDAC3HDAC4
SCHEMBL5452947 0.77 ITGB2 (0.75) ITGB2ICAM1ITGAL
SCHEMBL14362465 0.77 ITGB2 (0.75) 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.