SCHEMBL6028027

SCHEMBL6028027

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.41
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRSS1 P07477 7/20 0.32
TMPRSS15 P98073 6/20 0.32
PDE10A Q9Y233 1/20 0.32
PRSS2 P07478 1/20 0.32
F7 P08709 1/20 0.32
PRSS3 P35030 1/20 0.32
PDPK1 O15530 1/20 0.32
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
MT-CO2 P00403 1/20 0.31
KLKB1 P03952 2/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL6028705 0.88 F7 (0.40) F2PRSS1F7KLKB1
SCHEMBL6028261 0.86 KLKB1 (0.34) F2PRSS1TMPRSS15KLKB1
SCHEMBL6028222 0.85 PRSS1 (0.41) F2PRSS1TMPRSS15F7KLKB1
SCHEMBL6028991 0.84 F2 (0.38) F2KDM4ETSHRPRSS1TMPRSS15
SCHEMBL6028853 0.80 F2 (0.47) F2KDM4ETP53MAPTPRSS1
Acetic Acid SCHEMBL6078293 0.76 F2 (0.44) F2KDM4EMAPTPRSS1PDE10A
SCHEMBL6028501 0.76 F2 (0.50) F2ALOX15PRSS1PRSS2PRSS3
SCHEMBL6028152 0.75 F2 (0.54) F2PRSS1F7
SCHEMBL6028574 0.68 F2 (0.37) F2KDM4EMAPTPDE10AMT-CO2
SCHEMBL6078928 0.68 F2 (0.37) F2KDM4EMAPTPDE10AMT-CO2

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 7/4885KDM4E 2303/4885TP53 3971/4885

“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.