SCHEMBL6603942

SCHEMBL6603942

COSc1cc(Cl)cc2c1OCC[C@@]2(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.33
MAP3K14 Q99558 2/20 0.32

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
SCHEMBL6606181 1.00 AKR1B1 (0.33) AKR1B1MAP3K14
SCHEMBL6583197 0.80 AKR1B1 (0.45) AKR1B1MAP3K14
SCHEMBL6605186 0.79 AKR1B1 (0.42) AKR1B1MAP3K14
SCHEMBL6580397 0.79 AKR1B1 (0.42) AKR1B1MAP3K14
SCHEMBL6605188 0.79 AKR1B1 (0.42) AKR1B1MAP3K14
SCHEMBL6580562 0.73 PTGS1 (0.39) AKR1B1
SCHEMBL5399558 0.73 MEN1 (0.36) AKR1B1
SCHEMBL5399566 0.73 MEN1 (0.36) AKR1B1
SCHEMBL5399150 0.73 PPARD (0.32) AKR1B1MAP3K14
SCHEMBL6582062 0.70 AKR1B1 (0.41) AKR1B1MAP3K14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716834-B2 ANTICOAGULANTS. ASTRAZENECA AB (SE) 2004-04-06 US disclosed
EP-1283837-B1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-25 EP disclosed
US-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2003-11-27 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-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors SERPINC1, F2, TFPI AKR1B1 1031/4885MAP3K14 2865/4885

“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.