SCHEMBL6477871

SCHEMBL6477871

N=C(N)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)C(O)C2CCCCC2)cn1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.54
F10 P00742 1/20 0.50
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
ALDH1A1 P00352 1/20 0.44

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
Acetic Acid SCHEMBL6477631 0.97 F2 (0.59) F2F10PLGPLATPRSS1
SCHEMBL6477620 0.88 F2 (0.60) F2F10PLGPLATPRSS1
SCHEMBL6475186 0.87 F2 (0.53) F2F10PLGPLATPRSS1
SCHEMBL6485203 0.86 F2 (0.53) F2F10PLGPLATPRSS1
SCHEMBL6477139 0.83 F2 (0.47) F2F10PLGPLATPRSS1
SCHEMBL6485413 0.83 F2 (0.53) F2F10PLGPLATPRSS1
SCHEMBL6484829 0.83 F2 (0.54) F2F10PLGPLATPRSS1
SCHEMBL6483096 0.83 F2 (0.53) F2PLATPRSS1ALDH1A1
Acetic Acid SCHEMBL6485295 0.83 F2 (0.78) F2F10PLG
SCHEMBL6476398 0.82 F2 (0.51) F2F10PLGPLATPRSS1

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 5/4885F10 23/4885PLG 78/4885

“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.