SCHEMBL6789616

SCHEMBL6789616

CCOC(=O)C(CNC(=O)C1CCN(c2ccncc2)CC1)NC(=O)OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.71
ITGA2B P08514 10/20 0.71
F10 P00742 4/20 0.50
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
EPHX2 P34913 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CACNA1C Q13936 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
HTT P42858 1/20 0.43
F2 P00734 1/20 0.43
ELANE P08246 1/20 0.43

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
SCHEMBL6792152 0.86 ITGB3 (0.69) ITGB3ITGA2BF10GFERSMN1; SMN2
SCHEMBL7014192 0.83 ITGB3 (1.00) ITGB3ITGA2BF10
SCHEMBL3257825 0.79 ITGB3 (0.57) ITGB3ITGA2BF10LMNAGFER
SCHEMBL7010724 0.78 ITGB3 (0.86) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6795097 0.77 ITGB3 (0.59) ITGB3ITGA2BF10EPHX2
SCHEMBL6792880 0.76 F10 (0.53) ITGB3ITGA2BF10
SCHEMBL8634304 0.76 ITGB3 (0.62) ITGB3ITGA2BF10
SCHEMBL3256379 0.76 ITGB3 (0.51) ITGB3ITGA2BLMNASMN1; SMN2EPHX2
SCHEMBL6792198 0.76 ITGB3 (0.55) ITGB3ITGA2BF10F2
SCHEMBL3257072 0.76 ITGB3 (0.53) ITGB3ITGA2BF10GFERSMN1; SMN2

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 ITGB3 254/4885ITGA2B 708/4885F10 35/4885

“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.