SCHEMBL6477416

SCHEMBL6477416

C[C@H](NCC(=O)O)C(=O)N1CCC[C@]1(C(=O)NCc1ccc(C(=N)N)cc1O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.39
PROC P04070 11/20 0.39
F10 P00742 2/20 0.38
F7 P08709 1/20 0.38
PRSS1 P07477 3/20 0.35
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL6484699 0.90 PROC (0.42) F2PROCF10F7PRSS1
SCHEMBL6477095 0.86 F2 (0.38) F2PROCF10F7ITGB3
SCHEMBL8723707 0.85 F2 (0.35) F2F10PRSS1ITGB3ITGA2B
SCHEMBL6483869 0.83 F2 (0.35) F2F10PRSS1ITGB3ITGA2B
SCHEMBL8933084 0.79 F2 (0.33) F2F10F7
SCHEMBL8781109 0.78 F2 (0.36) F2PROCF10PRSS1PRSS2
SCHEMBL6475562 0.77 F2 (0.38) F2PROCF10F7ITGB3
SCHEMBL6483104 0.77 PDE4A (0.38) F2PROCF10F7PRSS1
SCHEMBL7047781 0.77 PDE4A (0.38) F2PROCF10F7PRSS1
SCHEMBL8727226 0.76 F2 (0.34) F2PROCF10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 F2 5/4885PROC 65/4885F10 23/4885

“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.