SCHEMBL6578015

SCHEMBL6578015

O=C(O)C1(O)CCOc2ccc(F)cc21

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 15/20 0.64
AKR1B10 O60218 1/20 0.51
MAPT P10636 1/20 0.51
AKR1A1 P14550 1/20 0.51
CTNNB1 P35222 1/20 0.38

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
SCHEMBL9824148 0.87 AKR1B1 (0.59) AKR1B1AKR1B10MAPTAKR1A1CTNNB1
SCHEMBL7177095 0.83 AKR1B1 (0.55) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL6605552 0.82 MAP3K14 (0.49) AKR1B1
SCHEMBL6578141 0.82 AKR1B1 (0.44) AKR1B1MAPTCTNNB1
SCHEMBL5399703 0.82 MAP3K14 (0.49) AKR1B1
SCHEMBL6605548 0.82 MAP3K14 (0.49) AKR1B1
SCHEMBL10651444 0.81 AKR1B1 (0.59) AKR1B1AKR1B10MAPTAKR1A1CTNNB1
SCHEMBL10569394 0.81 AKR1B1 (0.59) AKR1B1AKR1B10MAPTAKR1A1CTNNB1
SCHEMBL10919189 0.81 AKR1B1 (0.59) AKR1B1AKR1B10MAPTAKR1A1CTNNB1
SCHEMBL1690422 0.81 AKR1B1 (0.59) AKR1B1AKR1B10MAPTAKR1A1CTNNB1

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 1664/4885AKR1B10 2785/4885MAPT 4837/4885

“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.