SCHEMBL6786293

SCHEMBL6786293

CC(C)(C)OC(=O)N1CCC(C(=O)NCCNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.53
STS P08842 8/20 0.51
CTSS P25774 1/20 0.50
TGFBR1 P36897 7/20 0.49
F2 P00734 1/20 0.49
PKM P14618 1/20 0.48
TPSAB1 Q15661 1/20 0.47

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
SCHEMBL8549355 0.81 F2 (0.52) STSF2
SCHEMBL10194489 0.81 ACACB (0.71) ACACBTGFBR1
SCHEMBL6787195 0.81 CTSS (0.56) ACACBCTSSF2PKMTPSAB1
SCHEMBL6786683 0.81 ACACB (0.64) ACACBCTSSF2PKMTPSAB1
Hydrochloric Acid SCHEMBL6786751 0.80 CTSS (0.55) ACACBCTSSF2PKMTPSAB1
SCHEMBL6793490 0.80 F10 (0.61) CTSSF2PKMTPSAB1
SCHEMBL10194548 0.78 SFRP1 (0.56) ACACBSTSTGFBR1
SCHEMBL6792475 0.77 PKM (0.47) CTSSF2PKMTPSAB1
SCHEMBL6792902 0.77 PKM (0.52) CTSSF2PKMTPSAB1
SCHEMBL10194504 0.76 ACACB (0.59) ACACBTGFBR1

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
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
CN-1164232-A Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LTD (GB) 1997-11-05 CN 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 4066/4885STS 145/4885CTSS 4403/4885

“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.