SCHEMBL6476971

SCHEMBL6476971

N=C(N)c1ccc(CNC(=O)[C@]2(C3CCCCC3)CCCN2C(=O)CN)c(OCC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.38
F2 P00734 7/20 0.38
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
PRSS1 P07477 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
SCHEMBL6476147 0.91 F2 (0.36) F10F2PRSS1
SCHEMBL6487727 0.90 F2 (0.36) F10F2PRSS1
SCHEMBL6483869 0.86 F2 (0.35) F10F2ITGB3ITGA2BPRSS1
SCHEMBL6475472 0.85 F2 (0.35) F2ITGB3ITGA2BPRSS1
SCHEMBL6483104 0.84 PDE4A (0.38) F10F2ITGB3ITGA2BPRSS1
SCHEMBL7047781 0.84 PDE4A (0.38) F10F2ITGB3ITGA2BPRSS1
SCHEMBL6487471 0.82 F2 (0.35) F10F2PRSS1
SCHEMBL6476355 0.82 F10 (0.38) F10F2ITGB3ITGA2BPRSS1
SCHEMBL6476879 0.81 F2 (0.40) F10F2PRSS1
SCHEMBL6477095 0.81 F2 (0.38) F10F2ITGB3ITGA2B

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 F10 23/4885F2 5/4885ITGB3 1031/4885

“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.