SCHEMBL6794066

SCHEMBL6794066

CC(C)(C)OC(=O)NCC(NC(=O)CNS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.54
CTSS P25774 1/20 0.46
F2 P00734 3/20 0.46
PLAU P00749 2/20 0.46
PLG P00747 1/20 0.46
F10 P00742 1/20 0.46
PLAT P00750 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KAT6A Q92794 1/20 0.41

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
SCHEMBL6792561 0.92 ACACB (0.52) ACACBCTSSF2PLAUPLG
SCHEMBL6787163 0.89 F10 (0.55) ACACBF2PLAUPLGF10
SCHEMBL7407648 0.88 ACACB (0.49) ACACBCTSSF2PLAUPLG
SCHEMBL6787527 0.82 PLG (0.54) CTSSF2PLAUPLGF10
SCHEMBL6792223 0.82 TGM2 (0.52) CTSSF2PLAUPLGF10
Hydrochloric Acid SCHEMBL6790131 0.81 F2 (0.54) CTSSF2PLAUPLGF10
SCHEMBL6786112 0.81 PLG (0.51) CTSSF2PLAUPLGF10
Hydrochloric Acid SCHEMBL6786786 0.79 F2 (0.54) CTSSF2PLAUPLGF10
SCHEMBL8548180 0.79 F10 (0.49) ACACBF2PLAUPLGF10
SCHEMBL6789447 0.78 F10 (0.48) CTSSF2PLAUPLGF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 ACACB 4066/4885CTSS 4403/4885F2 2/4885

“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.