SCHEMBL6793306

SCHEMBL6793306

COC(=O)CC1CNCCN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.49
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
MMP3 P08254 1/20 0.47
MMP7 P09237 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NPC1 O15118 1/20 0.43
CCR4 P51679 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
ADAM17 P78536 1/20 0.41
GAA P10253 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTT P42858 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
SCHEMBL1618700 0.83 PKM (0.60) PKMALDH1A1LMNASMN1; SMN2MCOLN3
SCHEMBL1661410 0.81 PKM (0.53) PKMALDH1A1LMNASMN1; SMN2CCR4
SCHEMBL8156311 0.80 PKM (0.52) PKMALDH1A1LMNASMN1; SMN2MCOLN3
SCHEMBL6184463 0.79 PKM (0.54) PKMALDH1A1LMNASMN1; SMN2CCR4
Hydrochloric Acid SCHEMBL8153630 0.79 PKM (0.51) PKMALDH1A1LMNASMN1; SMN2MCOLN3
SCHEMBL6793495 0.78 MMP1 (0.55) MMP1MMP9MMP13MMP3MMP7
SCHEMBL1617124 0.76 PKM (0.55) PKMMMP1MMP9MMP13MMP3
SCHEMBL6725629 0.74 PPARG (0.45)
SCHEMBL4126774 0.73 ALDH1A1 (0.52) PKMALDH1A1LMNAHCRTR1HCRTR2
SCHEMBL6301308 0.73 PKM (0.45) PKMMMP1MMP9MMP13MMP3

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 7 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
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO 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 PKM 4658/4885MMP1 3592/4885MMP9 2829/4885

“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.