SCHEMBL5832298

SCHEMBL5832298

NC1C/C=C\CC2COCC(C(=O)O)C2C1=O

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.31
POLB P06746 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5832305 1.00 GABRR1 (0.31) GABRR1POLBTDP1
SCHEMBL5832168 0.79 CHRNA4 (0.32)
SCHEMBL5832158 0.79 CHRNA4 (0.32)
SCHEMBL638706 0.67
SCHEMBL6791683 0.67
SCHEMBL24958749 0.67
SCHEMBL30672799 0.67
SCHEMBL12987958 0.67
SCHEMBL29160138 0.67
SCHEMBL12987963 0.67

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 10 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-1511491-A1 DERIVATIVES OF AZEPINE AND THIAZEPAN AS INTERLEUKIN CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-03-09 EP disclosed
EP-1511749-A1 NOVEL INTERLEUKIN-1BETA 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-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 GABRR1 3902/4885POLB 4066/4885TDP1 3939/4885
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors IL1R1, IL1B, IL1RN GABRR1 1738/4885POLB 2613/4885TDP1 3029/4885
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 GABRR1 1608/4885POLB 3106/4885TDP1 3075/4885

“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.