SCHEMBL6583197

SCHEMBL6583197

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.45
MAP3K14 Q99558 4/20 0.42
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
P2RX7 Q99572 1/20 0.33
APP P05067 1/20 0.32
BACE1 P56817 1/20 0.32
HNF4A P41235 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
SCHEMBL6582062 0.89 AKR1B1 (0.41) AKR1B1MAP3K14PTGS2PTGS1P2RX7
SCHEMBL6605186 0.87 AKR1B1 (0.42) AKR1B1MAP3K14PTGS2PTGS1
SCHEMBL6605188 0.87 AKR1B1 (0.42) AKR1B1MAP3K14PTGS2PTGS1
SCHEMBL6580397 0.87 AKR1B1 (0.42) AKR1B1MAP3K14PTGS2PTGS1
SCHEMBL6603942 0.80 AKR1B1 (0.33) AKR1B1MAP3K14
SCHEMBL6606181 0.80 AKR1B1 (0.33) AKR1B1MAP3K14
SCHEMBL5399558 0.78 MEN1 (0.36) AKR1B1
SCHEMBL5399150 0.78 PPARD (0.32) AKR1B1MAP3K14PTGS2PTGS1
SCHEMBL5399566 0.78 MEN1 (0.36) AKR1B1
SCHEMBL6580562 0.75 PTGS1 (0.39) AKR1B1PTGS2PTGS1BACE1

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 AKR1B1 1664/4885MAP3K14 3472/4885PTGS2 1543/4885

“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.