SCHEMBL6029152

SCHEMBL6029152

CCO[C@](OC(C)=O)(C(=O)NCc1ccc(C(=N)N)cc1Cl)n1cccc(Nc2ccccc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.41
PRSS1 P07477 5/20 0.41
F10 P00742 3/20 0.33
F7 P08709 2/20 0.33
F3 P13726 1/20 0.33
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PLAU P00749 2/20 0.32
EPHX2 P34913 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
KLK1 P06870 1/20 0.31
PTGER3 P43115 4/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL6028222 0.91 PRSS1 (0.41) F2PRSS1F10F7
SCHEMBL6028106 0.88 F10 (0.40) F2PRSS1F10F7PLAU
SCHEMBL6028705 0.88 F7 (0.40) F2PRSS1F10F7F3
SCHEMBL6028261 0.85 KLKB1 (0.34) F2PRSS1F10
SCHEMBL6028991 0.81 F2 (0.38) F2PRSS1F10F7F3
SCHEMBL6028027 0.81 F2 (0.41) F2PRSS1F7MAPTEPHX2
SCHEMBL6028853 0.80 F2 (0.47) F2PRSS1F10F7F3
Acetic Acid SCHEMBL6077133 0.76 PRSS1 (0.43) F2PRSS1F10F7F3
SCHEMBL6028501 0.76 F2 (0.50) F2PRSS1F10
SCHEMBL6028152 0.75 F2 (0.54) F2PRSS1F10F7F3

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 F2 7/4885PRSS1 311/4885F10 8/4885

“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.