SCHEMBL10247761

SCHEMBL10247761

CS(=O)(=O)NN1CCC(=O)N2CCCC(C(=O)NC(CC(=O)O)C(=O)c3nc4cc(Cl)cc(Cl)c4o3)N2C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.36
ITGA4 P13612 6/20 0.36
ELANE P08246 4/20 0.34
CASP1 P29466 6/20 0.33
ITGB7 P26010 1/20 0.33
CTSS P25774 4/20 0.32
IL1B P01584 1/20 0.31

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
SCHEMBL10199261 1.00 ITGB1 (0.36) ITGB1ITGA4ELANECASP1ITGB7
SCHEMBL10199404 0.87 CASP1 (0.42) ELANECASP1CTSSIL1B
SCHEMBL10247759 0.87 CASP1 (0.42) ELANECASP1CTSSIL1B
SCHEMBL647783 0.87 CASP1 (0.41) ITGB1ITGA4ELANECASP1IL1B
SCHEMBL644683 0.87 CASP1 (0.41) ITGB1ITGA4ELANECASP1IL1B
SCHEMBL13139539 0.87 CASP1 (0.41) ITGB1ITGA4ELANECASP1IL1B
SCHEMBL648084 0.79 CASP1 (0.59) CASP1IL1B
SCHEMBL645261 0.79 CASP1 (0.59) CASP1IL1B
SCHEMBL7740043 0.78 LCK (0.35) CASP1IL1B
SCHEMBL645660 0.73 CASP1 (0.43) ITGB1ITGA4CASP1IL1B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 US disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 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 (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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ITGB1 1654/4885ITGA4 3642/4885ELANE 733/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 ITGB1 2331/4885ITGA4 3912/4885ELANE 661/4885

“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.