SCHEMBL6582453

SCHEMBL6582453

Cc1cc(Cl)cc2c1OCCC2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.38
CES1 P23141 1/20 0.38
MAOB P27338 5/20 0.37
MAOA P21397 2/20 0.37
VHL P40337 1/20 0.37
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PGR P06401 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GRM5 P41594 2/20 0.34

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
SCHEMBL6340500 0.90 SIRT2 (0.36) SIRT2CES1VHLELOCELOB
SCHEMBL11352770 0.82 SIRT2 (0.43) SIRT2MAOBMAOAKMT2ALMNA
SCHEMBL67615 0.82 MEN1 (0.46) SIRT2CES1MAOBMAOAVHL
SCHEMBL30543406 0.82 MEN1 (0.46) SIRT2CES1MAOBMAOAVHL
SCHEMBL12316746 0.79 MAOB (0.44) SIRT2MAOBMAOAVHLELOC
SCHEMBL8191575 0.79 MAOB (0.37) SIRT2MAOBMAOAVHLELOC
SCHEMBL12316699 0.79 LMNA (0.42) SIRT2MAOBMAOAVHLELOC
SCHEMBL14053377 0.79 NOTUM (0.42) SIRT2MAOBMAOAVHLELOC
SCHEMBL31424317 0.79 MAOB (0.40) SIRT2MAOBMAOALMNAMAPT
SCHEMBL12316580 0.79 SIRT2 (0.47) SIRT2MAOBMAOAVHLELOC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1012140-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-09-29 EP disclosed
US-6576657-B2 Nitrogen containing heterocyclic compounds useful as anticoagulants ASTRAZENECA AB (SE) 2003-06-10 US disclosed
US-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB 2002-02-21 US disclosed
US-6265397-B1 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2001-07-24 US disclosed
EP-1012140-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2000-06-28 EP disclosed
WO-1998057932-A1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRA AKTIEBOLAG (SE) 1998-12-23 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-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 SIRT2 3161/4885CES1 122/4885MAOB 504/4885

“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.