SCHEMBL10199449

SCHEMBL10199449

CC(=O)N1C[C@H](NS(=O)(=O)Cc2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.46
F10 P00742 3/20 0.46
CASP1 P29466 7/20 0.40
XIAP P98170 5/20 0.39
CYP3A4 P08684 3/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
IL1B P01584 2/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37

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
SCHEMBL10247946 1.00 F2 (0.46) F2F10CASP1XIAPCYP3A4
SCHEMBL10247714 0.89 CASP3 (0.40) F2F10CASP1XIAPCYP3A4
SCHEMBL10199338 0.89 CASP3 (0.40) F2F10CASP1XIAPCYP3A4
SCHEMBL10199324 0.87 XIAP (0.46) CASP1XIAPCYP3A4IL1B
SCHEMBL644702 0.84 CASP1 (0.47) CASP1XIAPCYP3A4
SCHEMBL644704 0.84 CASP1 (0.47) CASP1XIAPCYP3A4
SCHEMBL10199329 0.84 CASP1 (0.53) CASP1XIAPCYP3A4
SCHEMBL10249802 0.83 NPY1R (0.38) F2F10CASP1XIAPCYP3A4
SCHEMBL10201206 0.82 XIAP (0.42) CASP1XIAPCYP3A4
SCHEMBL10249657 0.82 XIAP (0.46) CASP1XIAPCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
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 (3 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 F2 1160/4885F10 1201/4885CASP1 6/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B F2 1160/4885F10 1201/4885CASP1 6/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 F2 1110/4885F10 1057/4885CASP1 5/4885

“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.