SCHEMBL6487499

SCHEMBL6487499

CC(=O)OC(C(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C(=N)N)cc1)C1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.69
TMPRSS11D O60235 4/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL6476123 0.88 F2 (0.60) F2TMPRSS11DALDH1A1
SCHEMBL6485203 0.87 F2 (0.53) F2ALDH1A1
Acetic Acid SCHEMBL6485295 0.85 F2 (0.78) F2TMPRSS11D
SCHEMBL25054265 0.85 F2 (0.71) F2TMPRSS11D
SCHEMBL23793874 0.85 F2 (0.71) F2TMPRSS11D
SCHEMBL8083311 0.84 F2 (0.61) F2TMPRSS11D
SCHEMBL23793667 0.83 F2 (0.68) F2TMPRSS11D
SCHEMBL7363164 0.83 F2 (0.70) F2TMPRSS11DALDH1A1
SCHEMBL7144645 0.83 F2 (0.70) F2TMPRSS11DALDH1A1
Hydrochloric Acid SCHEMBL7148138 0.82 F2 (0.69) F2TMPRSS11DALDH1A1

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 5/4885TMPRSS11D 37/4885ALDH1A1 925/4885

“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.