SCHEMBL6486871

SCHEMBL6486871

C[C@H](NCC(=O)O)C(=O)N1CCC[C@]1(C(=O)O)C1CCCCC1.N=C(N)c1ccc(C(N)=O)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.41
PRSS1 P07477 3/20 0.39
F10 P00742 2/20 0.39
PLG P00747 1/20 0.39
PLAT P00750 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
PROC P04070 4/20 0.34
F7 P08709 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
SCHEMBL6477293 0.93 F2 (0.39) F2PRSS1F10PLGPLAT
SCHEMBL6475625 0.90 F2 (0.34) F2PRSS1F10PLGPLAT
SCHEMBL6475187 0.88 F2 (0.33) F2PRSS1F10PLGPLAT
Hydrochloric Acid SCHEMBL6485317 0.84 ITGB3 (0.38) F2PRSS1F10PLGPLAT
SCHEMBL6487745 0.83 ITGB3 (0.36) F2PRSS1F10PLGPLAT
SCHEMBL8725900 0.82 F2 (0.31) F2
SCHEMBL6475692 0.82 ITGB3 (0.36) F2PRSS1F10PLGPLAT
SCHEMBL6485408 0.82 ITGB3 (0.34) F2PRSS1F10PLGPLAT
SCHEMBL6477039 0.81 ITGB3 (0.34) F2PRSS1F10PLGPLAT
Hydrochloric Acid SCHEMBL6489976 0.80 ITGB3 (0.36) F2PRSS1F10PLGPLAT

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 5/4885PRSS1 53/4885F10 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.