SCHEMBL5832455

SCHEMBL5832455

C=CCOC(=O)NC(CC(=O)OC(C)(C)C)C(=O)N(C)OC

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39
CASP1 P29466 15/20 0.38
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5832014 0.82 SMN1; SMN2 (0.49) SMN1; SMN2CASP1CYP2D6ALDH1A1
SCHEMBL8360706 0.82 SMN1; SMN2 (0.49) SMN1; SMN2CASP1CYP2D6ALDH1A1
SCHEMBL1409869 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CASP1CYP2D6
SCHEMBL8764106 0.80 SMN1; SMN2 (0.47) SMN1; SMN2CASP1CYP2D6
SCHEMBL1409786 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CASP1CYP2D6
SCHEMBL8763046 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CASP1CYP2D6
SCHEMBL4425862 0.77 JAK3 (0.50) JAK3BTKCASP1ALDH1A1
SCHEMBL5497654 0.77 JAK3 (0.50) JAK3BTKCASP1ALDH1A1
SCHEMBL6673011 0.77 JAK3 (0.48) SMN1; SMN2JAK3BTK
SCHEMBL8142449 0.77 JAK3 (0.48) SMN1; SMN2JAK3BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138395-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US disclosed
US-7041696-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-05-09 US disclosed
US-7001899-B2 Interleukin converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-02-21 US disclosed
EP-1513844-A1 NOVEL INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-16 EP disclosed
EP-1511749-A1 NOVEL INTERLEUKIN-1BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP disclosed
EP-1511491-A1 DERIVATIVES OF AZEPINE AND THIAZEPAN AS INTERLEUKIN CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP disclosed
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2004-01-22 US disclosed
US-20040009966-A1 7-member ring N-heterocycles that have a cysteine trap substitution; treating osteoarthritis THE PROCTER & GAMBLE COMPANY 2004-01-15 US disclosed
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-25 US disclosed
WO-2003106460-A1 NOVEL INTERLEUKIN-1 BETA CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-24 WO disclosed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO disclosed
WO-2003103677-A1 DERIVATIVES OF AZEPINE AND THIAZERAN AS INTERLEUKIN CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 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 (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-20040009966-A1 7-member ring N-heterocycles that have a cysteine trap substitution; treating osteoarthritis TST, SYVN1, TXN2 SMN1; SMN2 3617/4885JAK3 1745/4885BTK 3460/4885
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors IL1R1, IL1B, IL1RN SMN1; SMN2 4073/4885JAK3 2630/4885BTK 4117/4885
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 SMN1; SMN2 4567/4885JAK3 3259/4885BTK 2993/4885

“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.