SCHEMBL6580389

SCHEMBL6580389

COc1cc(Cl)c2c(c1)C(O)(C(N)=O)CCO2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.36
KMT2A Q03164 1/20 0.34
BACE1 P56817 5/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
PTGER3 P43115 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PDK2 Q15119 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ATM Q13315 1/20 0.31
MAP3K14 Q99558 1/20 0.31

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
SCHEMBL6580562 0.88 PTGS1 (0.39) PDE7AKMT2ABACE1PTGS1PTGS2
SCHEMBL6582062 0.75 AKR1B1 (0.41) BACE1PTGS1PTGS2NPC1MAP3K14
SCHEMBL6605186 0.70 AKR1B1 (0.42) PDE7APTGS1PTGS2MAP3K14
SCHEMBL6605188 0.70 AKR1B1 (0.42) PDE7APTGS1PTGS2MAP3K14
SCHEMBL6580397 0.70 AKR1B1 (0.42) PDE7APTGS1PTGS2MAP3K14
SCHEMBL11367364 0.66 MAP3K14 (0.47) BACE1NPC1RAB9AMAPTMAP3K14
SCHEMBL6580916 0.64 RAB9A (0.43) KMT2ABACE1NPC1RAB9ASMN1; SMN2
SCHEMBL6578320 0.63 SMN1; SMN2 (0.42) KMT2ABACE1NPC1RAB9ASMN1; SMN2
SCHEMBL6583197 0.63 AKR1B1 (0.45) BACE1PTGS1PTGS2MAP3K14
SCHEMBL6603942 0.62 AKR1B1 (0.33) MAP3K14

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 PDE7A 1425/4885KMT2A 4730/4885BACE1 107/4885

“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.