SCHEMBL5758333

SCHEMBL5758333

CC1(C)OC[C@H](C[C@@H](SC(=O)c2ccccc2)c2cncs2)N1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.33
TBXAS1 P24557 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
SCHEMBL16160174 0.94 P2RX7 (0.33) P2RX7TBXAS1
SCHEMBL16160965 0.89 BRD4 (0.34) P2RX7
SCHEMBL6746218 0.84 CYP2D6 (0.33)
SCHEMBL4595234 0.84 CYP2D6 (0.33)
SCHEMBL6232927 0.84 CYP2D6 (0.33)
SCHEMBL6746223 0.84 CYP2D6 (0.33)
SCHEMBL6752549 0.83 ITGB3 (0.37)
SCHEMBL6746374 0.81 IDO1 (0.36) P2RX7TBXAS1
SCHEMBL5757217 0.81 IDO1 (0.36) P2RX7TBXAS1
SCHEMBL5758835 0.76 CYP2D6 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562920-B1 ANTIINFLAMMATORY 3-ARYLTHIO-3-THIAZOLYL-ALKYLAMINES ASTRAZENECA AB (SE) 2006-06-28 EP disclosed
US-20060040992-A1 Antiinflammatory 3-arylthio-3-thiazolyl-alkylamines ASTRAZENECA AB (SE) 2006-02-23 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-20060040992-A1 Antiinflammatory 3-arylthio-3-thiazolyl-alkylamines NOS3, PTGIS, PTGES3 P2RX7 230/4885TBXAS1 8/4885

“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.