SCHEMBL6163358

SCHEMBL6163358

CCOC(=O)C(NC(=O)OC(C)(C)C)(C(=O)OCC)c1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
PTPRB P23467 1/20 0.39
GRM5 P41594 2/20 0.38
CYP1A2 P05177 1/20 0.38
SETD7 Q8WTS6 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GAA P10253 1/20 0.37
RORC P51449 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ADORA2A P29274 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
VNN1 O95497 1/20 0.36
MCHR1 Q99705 1/20 0.36
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL29938579 0.81 VNN1 (0.43) CNR2RXFP1GAARORCPDK1
SCHEMBL5783107 0.80 CNR2 (0.70) CNR2PDCD1CD274GRM5CYP1A2
SCHEMBL18982084 0.76 CNR2 (0.55) CNR2PDCD1CD274GRM5CYP1A2
SCHEMBL31237071 0.74 CNR2 (0.49) CNR2PDCD1CD274PDK1PDK2
SCHEMBL17999533 0.74 CTSS (0.43) CNR2PTPRBALDH1A1RECQLCTSS
SCHEMBL4500941 0.71 PDK1 (0.59) GAARORCPDK1PDK2PDK3
SCHEMBL30849775 0.71 PDK1 (0.59) GAARORCPDK1PDK2PDK3
SCHEMBL6296702 0.71 ALDH1A1 (0.67) CNR2PDCD1CD274PTPRBRXFP1
SCHEMBL352314 0.70 ERCC1 (0.52) VNN1CTSLCTSBCTSS
SCHEMBL1549698 0.70 PPARA (0.57) CNR2PDCD1CD274GRM5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI CNR2 536/4885PDCD1 1905/4885CD274 3646/4885

“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.