Sugi Predict

Sugi Predict / Compounds / SCHEMBL1409128

SCHEMBL1409128

SCHEMBL1409128

C=CCOC(=O)N[C@@H](CC(=O)OC(C)(C)C)C(O)COC(=O)C1(c2ccccc2)C=C(C)ON1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 9/20 0.33
▸ KLK5 Q9Y337 2/20 0.33
▸ USP2 O75604 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ BACE1 P56817 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL7345102 1.00 CASP1 (0.33) CASP1KLK5USP2ALDH1A1SMN1; SMN2
SCHEMBL646160 0.90 CASP1 (0.39) CASP1MAPT
SCHEMBL5831798 0.75 KLK5 (0.50) CASP1KLK5ALDH1A1
SCHEMBL10201588 0.72 POLB (0.44) ALDH1A1SMN1; SMN2MAPT
SCHEMBL1410128 0.72 ADRB2 (0.44) CASP1KLK5ALDH1A1SMN1; SMN2MAPT
SCHEMBL1410130 0.72 ADRB2 (0.44) CASP1KLK5ALDH1A1SMN1; SMN2MAPT
SCHEMBL311041 0.72 KLK5 (0.36) CASP1KLK5USP2ALDH1A1SMN1; SMN2
SCHEMBL10201581 0.72 ADRB2 (0.48) CASP1ALDH1A1
SCHEMBL7286618 0.72 CASP1 (0.48) CASP1KLK5USP2ALDH1A1
SCHEMBL10201585 0.72 ADRB2 (0.46) CASP1KLK5ALDH1A1SMN1; SMN2MAPT

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
EP-2295442-A2 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-16 — — EP disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
EP-2083014-A2 Inhibitors of interleukin-1ß converting enzyme Vertex Pharmceuticals Incorporated (US) 2009-07-29 — — EP disclosed
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 — — US disclosed
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2005-06-30 — — US disclosed
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED 2003-12-04 — — US disclosed
US-6423840-B1 FORMING N-ACYLAMINO COMPOUND VERTEX PHARMACEUTICALS INCORPORATED 2002-07-23 — — US disclosed
US-6258948-B1 AN N-ACYLAMINO COMPOUND; ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES VERTEX PHARMACEUTICALS, INCORPORATED 2001-07-10 — — US disclosed
US-6204261-B1 Inhibitors of interleukin-1β Converting enzyme inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2001-03-20 — — 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-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885KLK5 2182/4885USP2 1525/4885
US-20050143436-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885KLK5 2273/4885USP2 1544/4885
US-20030225269-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, APAF1, IL1B CASP1 6/4885KLK5 2309/4885USP2 1462/4885

“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.