SCHEMBL5757217

SCHEMBL5757217

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
P2RX7 Q99572 6/20 0.33
TBXAS1 P24557 1/20 0.33
PIK3CD O00329 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
SCHEMBL6746374 1.00 IDO1 (0.36) IDO1P2RX7TBXAS1PIK3CD
SCHEMBL16160188 0.92 IDO1 (0.36) IDO1P2RX7TBXAS1
SCHEMBL16160200 0.92 IDO1 (0.36) IDO1P2RX7TBXAS1
SCHEMBL16160948 0.86 SPHK1 (0.38) IDO1P2RX7
SCHEMBL16160950 0.86 SPHK1 (0.38) IDO1P2RX7
SCHEMBL5758196 0.83
SCHEMBL5756848 0.83
SCHEMBL5758333 0.81 P2RX7 (0.33) P2RX7TBXAS1
SCHEMBL6746347 0.80 CYP1A2 (0.30)
SCHEMBL6746322 0.80 CYP1A2 (0.30)

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 IDO1 87/4885P2RX7 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.