Sugi Predict

Sugi Predict / Compounds / SCHEMBL8279002

SCHEMBL8279002

SCHEMBL8279002

C[C@@H]1CCC[C@H](C)[C@]12CN2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ EPHX1 P07099 1/20 0.37
▸ PREP P48147 2/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H2 P55055 1/20 0.33

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
SCHEMBL8279000 1.00 CHRM2 (0.39) CHRM2CHRM1CHRM3HPGDEPHX1
SCHEMBL28907155 0.74 HPGD (0.40) CHRM2CHRM1CHRM3HPGDEPHX1
SCHEMBL28387508 0.73 HPGD (0.39) CHRM2CHRM1CHRM3HPGDEPHX1
SCHEMBL25437632 0.72 HPGD (0.38) CHRM2CHRM1CHRM3HPGDEPHX1
SCHEMBL28310208 0.71 HPGD (0.38) CHRM2CHRM1CHRM3HPGDEPHX1
SCHEMBL26884952 0.70 USP2 (0.42) CHRM2CHRM1CHRM3HPGDEPHX1
SCHEMBL22047526 0.70 CHRM2 (0.39) CHRM2CHRM1CHRM3HPGDEPHX1
SCHEMBL12699310 0.70 CHRM2 (0.36) CHRM2CHRM1CHRM3HPGDEPHX1
SCHEMBL2909390 0.69 CHRM2 (0.53) CHRM2CHRM1CHRM3HPGDEPHX1
SCHEMBL16984340 0.69 GRIN2B (0.43) CHRM2CHRM1CHRM3HPGDEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 — — US disclosed
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 — — US disclosed
EP-1730110-B9 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2011-11-02 — — EP disclosed
EP-1730110-B1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORP (US) 2010-06-09 — — EP disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 — — US disclosed
US-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease SCHERING CORPORATION 2007-02-22 — — US disclosed
WO-2005087731-A1 SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 — — 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 (1 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-20070042968-A1 Sulfur compounds as inhibitors of Hepatitis C virus NS3 serine protease PRSS1, PRSS3, HPN CHRM2 4856/4885CHRM1 4811/4885CHRM3 4455/4885

“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.