SCHEMBL5758780

SCHEMBL5758780

OCc1ccc2c(c1)CCS2(O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.33
CHEK1 O14757 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.31
CHKA P35790 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
SCHEMBL5757750 0.83 ABAT (0.34) CA12CA2CA3CA4CA6
SCHEMBL1909424 0.81 PTGDR2 (0.44) CHEK1CA2CA9PTGDR2
SCHEMBL31726744 0.79 PTGDR2 (0.36) GRIN2BCHEK1CA12CA2CA3
SCHEMBL16880255 0.78 CA2 (0.42) CA2PTGDR2
SCHEMBL11095842 0.72 CHEK1 (0.45) GRIN2BCHEK1CYP4F2CYP4A11
SCHEMBL9320759 0.70 GRIN2B (0.47) GRIN2BCHRNB4CHRNA3CHRNA7CYP4F2
SCHEMBL2633408 0.69 GRIN2B (0.46) GRIN2BCHRNB4CHRNA3CHRNA7
SCHEMBL7127913 0.69 AKR1B1 (0.42) GRIN2BCHEK1CHRNB4CHRNA3CHRNA7
SCHEMBL18065143 0.69 TSHR (0.42)
SCHEMBL10118337 0.67 GRIN2B (0.45) GRIN2BCHRNB4CHRNA3CHRNA7

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-1562902-B1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2006-05-03 EP disclosed
US-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase ASRAZENECA AB (SE) 2006-02-16 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-20060035938-A1 2-Pyridone derivatives as inhibitors of neutrophile elastase SERPINB1, ELANE, SERPINE1 GRIN2B 3571/4885CHEK1 2882/4885CHRNB4 847/4885

“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.