SCHEMBL6224316

SCHEMBL6224316

CCC(C)N(Nc1cccc(C(=N)N)c1)C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.59
PRSS1 P07477 8/20 0.56
F2 P00734 2/20 0.56
PRSS2 P07478 1/20 0.56
PRSS3 P35030 1/20 0.56
KCNH2 Q12809 1/20 0.56
PLG P00747 1/20 0.56
PROC P04070 1/20 0.56

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
SCHEMBL6225755 0.93 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL6221737 0.92 F10 (0.63) F10PRSS1F2PRSS2PRSS3
SCHEMBL6224834 0.86 F10 (0.63) F10PRSS1F2PRSS2PRSS3
SCHEMBL6225168 0.85 F10 (0.61) F10PRSS1F2PRSS2PRSS3
SCHEMBL6224916 0.85 F10 (0.55) F10PRSS1F2PRSS2PRSS3
SCHEMBL6224159 0.85 F10 (0.63) F10PRSS1F2PRSS2PRSS3
SCHEMBL6223414 0.84 F10 (0.61) F10PRSS1F2PRSS2PRSS3
SCHEMBL7098208 0.84 F10 (0.59) F10PRSS1F2PRSS2PRSS3
SCHEMBL6224903 0.83 F10 (0.59) F10PRSS1F2PRSS2PRSS3
SCHEMBL6223578 0.82 F10 (0.59) F10PRSS1F2PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311476-B1 AZA-AMINO ACID DERIVATIVES (FACTOR X A?-INHIBITORS 15) MERCK PATENT GMBH (DE) 2005-03-16 EP claimed
US-6849626-B2 Aza-amino acid derivatives (factor Xa inhibitors 15) MERCK PATENT GMBH (DE) 2005-02-01 US claimed
US-20040034072-A1 Aza-amino acid derivatives (factor Xa inhibitors 15) MERCK PATENT GMBH (DE) 2004-02-19 US claimed
EP-1311476-A1 AZA-AMINO ACID DERIVATIVES (FACTOR X A?-INHIBITORS 15) MERCK PATENT GmbH (DE) 2003-05-21 EP claimed
WO-2002016315-A1 AZA-AMINO ACID DERIVATIVES (FACTOR XA-INHIBITORS 15) MERCK PATENT GMBH (DE) 2002-02-28 WO claimed
EP-1311476-B1 AZA-AMINO ACID DERIVATIVES (FACTOR X A?-INHIBITORS 15) MERCK PATENT GMBH (DE) 2005-03-16 EP disclosed
US-6849626-B2 Aza-amino acid derivatives (factor Xa inhibitors 15) MERCK PATENT GMBH (DE) 2005-02-01 US disclosed
US-20040034072-A1 Aza-amino acid derivatives (factor Xa inhibitors 15) MERCK PATENT GMBH (DE) 2004-02-19 US disclosed
EP-1311476-A1 AZA-AMINO ACID DERIVATIVES (FACTOR X A?-INHIBITORS 15) MERCK PATENT GmbH (DE) 2003-05-21 EP disclosed
WO-2002016315-A1 AZA-AMINO ACID DERIVATIVES (FACTOR XA-INHIBITORS 15) MERCK PATENT GMBH (DE) 2002-02-28 WO 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-20040034072-A1 Aza-amino acid derivatives (factor Xa inhibitors 15) AZI2, F11, SERPINE1 F10 32/4885PRSS1 219/4885F2 35/4885

“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.