SCHEMBL10199339

SCHEMBL10199339

CC(=O)N1C[C@H](NC(=O)/C=C/c2ccccc2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 11/20 0.41
MMP2 P08253 2/20 0.41
ANPEP P15144 1/20 0.41
CYP3A4 P08684 4/20 0.39
CASP1 P29466 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
IL1B P01584 2/20 0.36

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
SCHEMBL10249655 0.95 XIAP (0.41) XIAPMMP2ANPEPCYP3A4SMN1; SMN2
SCHEMBL10201818 0.91 XIAP (0.38) XIAPCYP3A4CASP1SMN1; SMN2
SCHEMBL10201832 0.90 MAOB (0.40) XIAPSMN1; SMN2
SCHEMBL10199324 0.86 XIAP (0.46) XIAPCYP3A4CASP1IL1B
SCHEMBL644704 0.86 CASP1 (0.47) XIAPCYP3A4CASP1
SCHEMBL644702 0.86 CASP1 (0.47) XIAPCYP3A4CASP1
SCHEMBL10248511 0.85 XIAP (0.38) XIAPCYP3A4SMN1; SMN2
SCHEMBL10200499 0.85 XIAP (0.38) XIAPCYP3A4SMN1; SMN2
SCHEMBL10201206 0.85 XIAP (0.42) XIAPCYP3A4CASP1
SCHEMBL10200507 0.84 MAPT (0.40) XIAPSMN1; SMN2

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 XIAP 257/4885MMP2 317/4885ANPEP 82/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B XIAP 257/4885MMP2 317/4885ANPEP 82/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 XIAP 276/4885MMP2 212/4885ANPEP 116/4885

“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.