SCHEMBL6028705

SCHEMBL6028705

CCO[C@](OC(C)=O)(C(=O)NCc1ccc(C(=N)N)cc1)n1cccc(Nc2ccccc2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F7 P08709 7/20 0.40
F3 P13726 5/20 0.40
F2 P00734 16/20 0.38
PRSS1 P07477 4/20 0.37
F10 P00742 3/20 0.37
TPSAB1 Q15661 2/20 0.36
KLKB1 P03952 1/20 0.35

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
SCHEMBL6028539 0.91 NAMPT (0.39) F7F3F2PRSS1F10
SCHEMBL6028991 0.91 F2 (0.38) F7F3F2PRSS1F10
SCHEMBL6028853 0.90 F2 (0.47) F7F3F2PRSS1F10
SCHEMBL6028027 0.88 F2 (0.41) F7F2PRSS1KLKB1
SCHEMBL6029152 0.88 F2 (0.41) F7F3F2PRSS1F10
SCHEMBL6028222 0.88 PRSS1 (0.41) F7F2PRSS1F10KLKB1
SCHEMBL6028261 0.87 KLKB1 (0.34) F2PRSS1F10KLKB1
SCHEMBL6028501 0.87 F2 (0.50) F2PRSS1F10
SCHEMBL6028152 0.87 F2 (0.54) F7F3F2PRSS1F10
SCHEMBL6028106 0.85 F10 (0.40) F7F2PRSS1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US claimed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US claimed
EP-1706396-A1 N-(4-CARBAMIMIDOYL-BENZYL)-2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F.HOFFMANN-LA ROCHE AG (CH) 2006-10-04 EP disclosed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
WO-2005058868-A1 N-(4-CARBAMIMIDOYL-BENZYL) -2-ALKOXY-2-HETEROCYCLYL ACETAMIDES AS INHIBITORS OF THE FORMATION OF COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 F7 6/4885F3 4/4885F2 7/4885

“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.