SCHEMBL5832112

SCHEMBL5832112

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.35
CASP1 P29466 5/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
CTSK P43235 3/20 0.32
USP2 O75604 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL8358714 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CYP2D6TSHRCASP1CA1
SCHEMBL26623303 0.83 CASP1 (0.43) TSHRCASP1
SCHEMBL26623307 0.83 CASP1 (0.43) TSHRCASP1
SCHEMBL7344489 0.81 CYP2D6 (0.43) SMN1; SMN2CYP2D6TSHRCASP1CA1
SCHEMBL1409667 0.81 CYP2D6 (0.43) SMN1; SMN2CYP2D6TSHRCASP1CA1
SCHEMBL8360706 0.76 SMN1; SMN2 (0.49) SMN1; SMN2CYP2D6CASP1HDAC3HDAC1
SCHEMBL5832014 0.76 SMN1; SMN2 (0.49) SMN1; SMN2CYP2D6CASP1HDAC3HDAC1
SCHEMBL1409930 0.76 CTSK (0.46) SMN1; SMN2CYP2D6CASP1CTSKHDAC3
SCHEMBL3471522 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CYP2D6TSHRCASP1USP2
SCHEMBL5832676 0.76 CTSK (0.46) SMN1; SMN2CYP2D6CASP1CTSKHDAC3

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-2003103677-A1 DERIVATIVES OF AZEPINE AND THIAZERAN AS INTERLEUKIN CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO disclosed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β 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 3617/4885CYP2D6 2624/4885TSHR 1467/4885
US-20030236296-A1 Novel interleukin-1beta converting enzyme inhibitors IL1R1, IL1B, IL1RN SMN1; SMN2 4073/4885CYP2D6 485/4885TSHR 2461/4885
US-20040014753-A1 Novel interleukin-1beta converting enzyme inhibitors IL1B, IL1RN, IL1R1 SMN1; SMN2 4567/4885CYP2D6 1056/4885TSHR 2054/4885

“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.