SCHEMBL418755

SCHEMBL418755

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)OC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.56
BTK Q06187 1/20 0.56
CTSK P43235 12/20 0.53
CTSS P25774 6/20 0.53
CTSL P07711 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL837298 1.00 JAK3 (0.56) JAK3BTKCTSKCTSSCTSL
SCHEMBL31393677 1.00 JAK3 (0.56) JAK3BTKCTSKCTSSCTSL
SCHEMBL8574418 0.92 JAK3 (0.59) JAK3BTKCTSKCTSS
SCHEMBL6492046 0.92 JAK3 (0.59) JAK3BTKCTSKCTSS
SCHEMBL7676724 0.92 JAK3 (0.59) JAK3BTKCTSKCTSS
SCHEMBL10095209 0.88 JAK3 (0.56) JAK3BTKCTSKCTSSCTSL
SCHEMBL6631742 0.88 JAK3 (0.52) JAK3BTKCTSKCTSSCTSL
SCHEMBL836446 0.88 JAK3 (0.52) JAK3BTKCTSKCTSSCTSL
SCHEMBL836447 0.88 JAK3 (0.52) JAK3BTKCTSKCTSSCTSL
SCHEMBL20825396 0.87 JAK3 (0.55) JAK3BTKCTSKCTSSCTSL

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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014083582-A2 NOVEL PROCESS FOR THE PREPARATION OF (1S,3AR,6AS)-2-[(2S)-2-({(2S)-2-CYCLOHEXYL-2-[(PYRAZIN-2-YLCARBONYL)AMINO]ACETYL}AMINO)-3,3-DIMETHYLBUTANOYL]-N-[(3S)-1-(CYCLOPROPYLAMINO)-1,2-DIOXOHEXAN-3-YL]-3,3A,4,5,6,6A-HEXAHYDRO-1H-CYCLOPENTA[C] PYRROLE-1-CARBOXAMIDE AND ITS INTERMEDIATES MSN LABORATORIES LIMITED (IN) 2014-06-05 WO claimed
WO-2025049912-A1 METHODS OF MANUFACTURING HIGHLY STEREOCHEMICALLY PURE INHIBITORS OF Z-AT POLYMERIZATION BIOMARIN PHARMACEUTICAL INC. (US) 2025-03-06 WO disclosed
EP-1919478-B1 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-1906945-B1 HCV INHIBITORS VIROBAY INC (US) 2015-08-05 EP disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
US-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-02 US disclosed
EP-2368877-B1 Peptidomimetic protease inhibitors and intermediates for their preparation As treatment for HCV infection VERTEX PHARMA (US) 2014-05-07 EP disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8529882-B2 Peptidomimetic protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-10 US disclosed
US-8518874-B2 HCV inhibitors VIROBAY, INC. (US) 2013-08-27 US disclosed
WO-2006130686-A2 HCV PROTEASE INHIBITORS IN COMBINATION WITH FOOD SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130607-A2 CONTROLLED-RELEASE FORMULATION USEFUL FOR TREATING DISORDERS ASSOCIATED WITH HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130666-A2 MEDICAMENTS AND METHODS COMBINING A HCV PROTEASE INHIBITOR AND AN AKR COMPETITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130552-A2 METHODS OF TREATING HEPATITIS C VIRUS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130687-A2 LIVER/PLASMA CONCENTRATION RATIO FOR DOSING HEPATITIS C VIRUS PROTEASE INHIBITOR SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130553-A2 HCV PROTEASE INHIBITORS SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130688-A2 COMPOUNDS FOR INHIBITING CATHEPSIN ACTIVITY SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2006130628-A2 COMBINATION OF HCV PROTEASE INHIBITORS WITH A SURFACTANT SCHERING CORPORATION (US) 2006-12-07 WO disclosed
WO-2005087730-A1 3,4-(CYCLOPENTYL)-FUSED PROLINE COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2005-09-22 WO disclosed
WO-2005058821-A1 INHIBITORS OF HEPATITIS C VIRUS NS3/NS4A SERINE PROTEASE SCHERING CORPORATION (US) 2005-06-30 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-20140294763-A1 PEPTIDOMIMETIC PROTEASE INHIBITORS CTSC, PREP, PEPD JAK3 1049/4885BTK 3471/4885CTSK 86/4885

“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.