SCHEMBL10199559

SCHEMBL10199559

O=C(O)C[C@H](NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)c3ccccc3)C(=O)N12)C(=O)CSc1nnnn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 7/20 0.43
POLB P06746 2/20 0.39
ALDH1A1 P00352 6/20 0.39
TSHR P16473 3/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
IL1B P01584 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 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
SCHEMBL645894 0.87 CASP1 (0.60) CASP1POLBALDH1A1TSHRHTT
SCHEMBL648494 0.87 CASP1 (0.60) CASP1POLBALDH1A1TSHRHTT
SCHEMBL10247735 0.87 CASP1 (0.60) CASP1POLBALDH1A1TSHRHTT
SCHEMBL10247793 0.85 CASP1 (0.47) CASP1ALDH1A1IL1B
SCHEMBL10199721 0.85 CASP1 (0.47) CASP1ALDH1A1IL1B
SCHEMBL647266 0.82 CASP1 (0.50) CASP1ALDH1A1TSHRHTTIL1B
SCHEMBL645645 0.82 CASP1 (0.50) CASP1ALDH1A1TSHRHTTIL1B
SCHEMBL1410049 0.81 CASP1 (0.51) CASP1ALDH1A1TSHRHTTIL1B
SCHEMBL647295 0.81 CASP1 (0.46) CASP1POLBALDH1A1TSHRHTT
SCHEMBL647722 0.81 CASP1 (0.46) CASP1POLBALDH1A1TSHRHTT

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 5 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-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-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885POLB 508/4885ALDH1A1 422/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885POLB 614/4885ALDH1A1 440/4885

“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.