SCHEMBL6028539

SCHEMBL6028539

CCO[C@](OC(C)=O)(C(=O)NCc1ccc(C(=N)N)cc1)n1cccc(Nc2cccnc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.39
PRSS1 P07477 3/20 0.36
TMPRSS15 P98073 1/20 0.36
F2 P00734 5/20 0.35
F10 P00742 2/20 0.35
F7 P08709 4/20 0.34
F3 P13726 4/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33

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 0.91 F7 (0.40) PRSS1F2F10F7F3
SCHEMBL6028991 0.87 F2 (0.38) PRSS1TMPRSS15F2F10F7
SCHEMBL6028853 0.86 F2 (0.47) PRSS1F2F10F7F3
SCHEMBL6028027 0.81 F2 (0.41) PRSS1TMPRSS15F2F7TP53
SCHEMBL6028501 0.80 F2 (0.50) PRSS1F2F10
SCHEMBL6028152 0.80 F2 (0.54) PRSS1F2F10F7F3
SCHEMBL6028222 0.79 PRSS1 (0.41) PRSS1TMPRSS15F2F10F7
SCHEMBL6029152 0.79 F2 (0.41) PRSS1F2F10F7F3
SCHEMBL6028261 0.79 KLKB1 (0.34) PRSS1TMPRSS15F2F10
SCHEMBL6028106 0.77 F10 (0.40) PRSS1F2F10F7

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 NAMPT 3006/4885PRSS1 311/4885TMPRSS15 363/4885

“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.