SCHEMBL6079216

SCHEMBL6079216

CCOC(C(=O)NCc1ccc(C(=N)N)cc1F)n1cccc(Nc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.44
F10 P00742 7/20 0.44
F2 P00734 7/20 0.44
KLKB1 P03952 4/20 0.36
F7 P08709 3/20 0.35
TMPRSS15 P98073 4/20 0.34
PTGER3 P43115 2/20 0.33
OPRK1 P41145 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL6031605 1.00 PRSS1 (0.44) PRSS1F10F2KLKB1F7
Acetic Acid SCHEMBL6078037 0.98 PRSS1 (0.43) PRSS1F10F2KLKB1F7
SCHEMBL6028237 0.91 F10 (0.36) PRSS1F10F2PTGER3OPRK1
SCHEMBL6028232 0.91 F10 (0.36) PRSS1F10F2PTGER3OPRK1
Acetic Acid SCHEMBL6077133 0.89 PRSS1 (0.43) PRSS1F10F2F7TMPRSS15
Acetic Acid SCHEMBL6076965 0.89 KLKB1 (0.35) PRSS1F10F2KLKB1F7
Acetic Acid SCHEMBL6028097 0.86 F10 (0.47) PRSS1F10F2F7OPRK1
Acetic Acid SCHEMBL6078758 0.85 F2 (0.42) PRSS1F10F2KLKB1F7
SCHEMBL6029310 0.83 OPRK1 (0.34) KLKB1PTGER3OPRK1
SCHEMBL6029315 0.83 OPRK1 (0.34) KLKB1PTGER3OPRK1

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 2 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 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 PRSS1 311/4885F10 8/4885F2 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.