SCHEMBL6582062

SCHEMBL6582062

Cc1cc(Cl)cc2c1OCCC2(O)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.41
MAP3K14 Q99558 3/20 0.38
P2RX7 Q99572 1/20 0.34
BACE1 P56817 4/20 0.33
APP P05067 2/20 0.33
BACE2 Q9Y5Z0 1/20 0.31
PTGS2 P35354 2/20 0.30
PTGS1 P23219 1/20 0.30
CYP2D6 P10635 1/20 0.30
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6583197 0.89 AKR1B1 (0.45) AKR1B1MAP3K14P2RX7BACE1APP
SCHEMBL6605188 0.75 AKR1B1 (0.42) AKR1B1MAP3K14PTGS2PTGS1
SCHEMBL6580397 0.75 AKR1B1 (0.42) AKR1B1MAP3K14PTGS2PTGS1
SCHEMBL6605186 0.75 AKR1B1 (0.42) AKR1B1MAP3K14PTGS2PTGS1
SCHEMBL6580389 0.75 PDE7A (0.36) MAP3K14BACE1PTGS2PTGS1NPC1
SCHEMBL11367364 0.74 MAP3K14 (0.47) AKR1B1MAP3K14BACE1APPNPC1
SCHEMBL6606181 0.70 AKR1B1 (0.33) AKR1B1MAP3K14
SCHEMBL6603942 0.70 AKR1B1 (0.33) AKR1B1MAP3K14
SCHEMBL5399566 0.68 MEN1 (0.36) AKR1B1NPC1L3MBTL1
SCHEMBL5399558 0.68 MEN1 (0.36) AKR1B1NPC1L3MBTL1

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 9 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
US-4305877-A ALDOSE REDUCTASE ENZYME INHIBITOR FOR TREATMENT OF CHRONIC DIABETIC COMPLICATIONS PFIZER INC. (US) 1981-12-15 US disclosed
US-4267342-A INHIBITORS OF OXIDOREDUCTASE ENZYMES; NERVOUS SYSTEM DISORDERS AND VISION DEFECTS CAUSED BY DIABETES PFIZER INC. (US) 1981-05-12 US disclosed
US-4200642-A ENZYME INHIBITORS PFIZER INC. (US) 1980-04-29 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-20020022612-A1 New amidino derivatives and their use as thrombin inhibitors SERPINC1, SERPINE1, SERPINB1 AKR1B1 1664/4885MAP3K14 3472/4885P2RX7 2081/4885

“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.