SCHEMBL6794601

SCHEMBL6794601

O=C(CNS(=O)(=O)/C=C/c1ccc(Cl)cc1)NC(CNC(=O)C1CCN(c2ccncc2)CC1)C(=O)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.55
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38

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
SCHEMBL6794603 1.00 F10 (0.55) F10CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6791068 0.81 F10 (0.44) F10ITGB3ITGA2B
SCHEMBL8548825 0.79 ITGB3 (0.48) F10CYP3A4CYP2D6CYP2C19ITGB3
SCHEMBL6793666 0.78 F10 (0.55) F10ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6786102 0.78 ITGB3 (0.47) F10ITGB3ITGA2B
SCHEMBL8542353 0.77 ITGB3 (0.48) F10CYP3A4CYP2D6CYP2C19ITGB3
Hydrochloric Acid SCHEMBL8542083 0.76 ITGB3 (0.47) F10CYP3A4CYP2D6CYP2C19ITGB3
SCHEMBL7405275 0.74 F10 (0.41) F10
SCHEMBL8548990 0.73 ITGB3 (0.45) F10ITGB3ITGA2B
SCHEMBL6792769 0.73 F10 (0.54) F10

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-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

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 F10 35/4885CYP3A4 331/4885CYP2D6 339/4885

“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.