SCHEMBL5224008

SCHEMBL5224008

COC[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
KLK5 Q9Y337 4/20 0.52
KLK7 P49862 2/20 0.52
PPARA Q07869 3/20 0.51
ATM Q13315 1/20 0.51
CTSS P25774 4/20 0.48
PPARG P37231 2/20 0.47
CTSL P07711 2/20 0.45
MAPT P10636 1/20 0.45
CTRB1 P17538 2/20 0.44
CTSK P43235 2/20 0.44
CTSB P07858 1/20 0.44
APP P05067 1/20 0.43
CACNA1B Q00975 2/20 0.43

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
SCHEMBL5224016 1.00 SYK (0.57) SYKKLK5KLK7PPARAATM
SCHEMBL25635629 0.91 SYK (0.60) SYKPPARAATMCTSSCTSL
SCHEMBL17207697 0.90 SYK (0.59) SYKKLK5KLK7PPARAATM
SCHEMBL15928906 0.88 ATM (0.62) SYKKLK5KLK7PPARAATM
SCHEMBL3276799 0.88 SYK (0.59) SYKKLK5KLK7PPARAATM
SCHEMBL3108565 0.88 SYK (0.59) SYKKLK5KLK7PPARAATM
SCHEMBL6685926 0.88 SYK (0.59) SYKKLK5KLK7PPARAATM
SCHEMBL6685929 0.88 SYK (0.59) SYKKLK5KLK7PPARAATM
SCHEMBL14119009 0.88 ATM (0.62) SYKKLK5KLK7PPARAATM
SCHEMBL1262680 0.88 SYK (0.59) SYKKLK5KLK7PPARAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912972-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2011-09-28 EP disclosed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7626040-B2 Substituted imidazole compounds as KSP inhibitors NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US disclosed
US-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 US disclosed
EP-1663966-B1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2007-06-20 EP disclosed
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases LE GRAND DARREN M 2007-02-22 US disclosed
WO-2007021794-A1 SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2007-02-22 WO disclosed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 US disclosed
US-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition NOVARTIS VACCINES AND DIAGNOSTICS INC. 2007-02-15 US disclosed
EP-1663966-A1 1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES Novartis AG (CH) 2006-06-07 EP disclosed
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005026113-A1 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS CCR-3 RECEPTOR ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISEASES NOVARTIS AG (CH) 2005-03-24 WO disclosed
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 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-20070037853-A1 N-(3-aminopropyl)-N-{1-[1-benzyl-4-(3-chlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl}morpholine-4-carboxamide and derivatives; kinesin spindle protein (KSP) inhibitors; anticarcinogenic agents; antimiotic; gene expression inhibition KIF5B, KIF2C, KIF18B SYK 4732/4885KLK5 2222/4885KLK7 1785/4885
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 SYK 2729/4885KLK5 2931/4885KLK7 3967/4885
US-20070043013-A1 1,3 Disubstituted azetidine derivatives for use as ccr-3 receptor antagonists in the treatment of inflammatory and allergic diseases CCR1, CCR3, CCR9 SYK 1422/4885KLK5 2363/4885KLK7 3756/4885

“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.