SCHEMBL6605511

SCHEMBL6605511

O=C(O)C1(O)CCSc2c(Cl)cc(Cl)cc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.34
PDE7A Q13946 1/20 0.33
GPR17 Q13304 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
SHMT1 P34896 1/20 0.30
SHMT2 P34897 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
SCHEMBL6760982 1.00 AKR1B1 (0.34) AKR1B1PDE7AGPR17IDO1TDO2
SCHEMBL6603949 0.82 KDM4E (0.34) AKR1B1
SCHEMBL6603938 0.82 KDM4E (0.34) AKR1B1
SCHEMBL6611239 0.79 MEN1 (0.32)
SCHEMBL6611249 0.79 MEN1 (0.32)
SCHEMBL6606785 0.76 VHL (0.40) AKR1B1SHMT1SHMT2
SCHEMBL6761740 0.76 VHL (0.40) AKR1B1SHMT1SHMT2
Potassium Ion SCHEMBL6981616 0.74 VHL (0.38) AKR1B1SHMT1SHMT2
SCHEMBL6580397 0.70 AKR1B1 (0.42) AKR1B1PDE7AFABP4FABP5
SCHEMBL6605188 0.70 AKR1B1 (0.42) AKR1B1PDE7AFABP4FABP5

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 5 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
EP-1283837-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS AstraZeneca AB (SE) 2003-02-19 EP disclosed
WO-2001087879-A1 NEW THIOCHROMANE DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2001-11-22 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-20030220317-A1 Thiochromane derivatives and their use as thrombin inhibitors SERPINC1, F2, TFPI AKR1B1 1031/4885PDE7A 1477/4885GPR17 3881/4885

“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.