SCHEMBL650648

SCHEMBL650648

COC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3)C(=O)N12

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 16/20 0.64
CASP8 Q14790 9/20 0.64
CASP3 P42574 3/20 0.64
IL1B P01584 2/20 0.48
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
LCK P06239 3/20 0.43

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
SCHEMBL13776452 1.00 CASP1 (0.64) CASP1CASP8CASP3IL1BMME
SCHEMBL1415430 1.00 CASP1 (0.64) CASP1CASP8CASP3IL1BMME
SCHEMBL10263942 1.00 CASP1 (0.64) CASP1CASP8CASP3IL1BMME
SCHEMBL1409737 0.93 CASP1 (0.74) CASP1CASP8CASP3IL1BMME
SCHEMBL646123 0.93 CASP1 (0.74) CASP1CASP8CASP3IL1BMME
SCHEMBL10200238 0.92 CASP1 (0.63) CASP1CASP8CASP3IL1BMME
SCHEMBL646017 0.92 CASP1 (0.63) CASP1CASP8CASP3IL1BMME
SCHEMBL1409738 0.92 CASP1 (0.63) CASP1CASP8CASP3IL1BMME
SCHEMBL645957 0.91 CASP1 (0.62) CASP1CASP8CASP3IL1BMME
SCHEMBL644684 0.91 CASP1 (0.62) CASP1CASP8CASP3IL1BMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109475215-B Cosmetic preparation 株式会社黛怡茜 2021-11-23 CN disclosed
CN-107847035-B Cosmetic preparation 株式会社黛怡茜 2021-07-16 CN disclosed
CN-108350608-B Moisture-absorbing core-sheath composite yarn and fabric 东丽株式会社 2021-01-08 CN disclosed
EP-1861246-B1 ADHESIVELY SECURABLE STOCK PACKAGING MATERIALS ENCAPSYS LLC (US) 2017-03-29 EP disclosed
EP-1863634-B1 ADHESIVELY SECURABLE STOCK MATERIALS ENCAPSYS LLC (US) 2017-03-29 EP disclosed
EP-1784302-B1 ENCAPSULATED CURE SYSTEMS ENCAPSYS LLC (US) 2016-07-06 EP disclosed
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-8119214-B2 Encapsulated cure systems APPLETON PAPERS INC (US) 2012-02-21 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
EP-1861246-A2 ADHESIVELY SECURABLE STOCK PACKAGING MATERIALS Appleton Papers Inc. (US) 2007-12-05 EP disclosed
EP-1784302-A2 ENCAPSULATED CURE SYSTEMS Appleton Papers Inc. (US) 2007-05-16 EP disclosed
WO-2006104623-A2 ADHESIVELY SECURABLE STOCK PACKAGING MATERIALS APPLETON PAPERS INC. (US) 2006-10-05 WO disclosed
US-20060073334-A1 Encapsulated cure systems IPS STRUCTURAL ADHESIVES, INC. 2006-04-06 US disclosed
WO-2006028806-A2 ENCAPSULATED CURE SYSTEMS APPLETON PAPERS INC. (US) 2006-03-16 WO 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 6/4885CASP8 131/4885CASP3 85/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885CASP8 115/4885CASP3 67/4885

“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.