SCHEMBL126435

SCHEMBL126435

[CH2]c1csc(C(C)(C)C(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
DAO P14920 2/20 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
SCHEMBL126436 0.78 DAO (0.48) GLRA3GLRBDAO
SCHEMBL1492701 0.78 CES2 (0.42) GLRA3GLRBDAO
SCHEMBL129508 0.77 MAPT (0.33) GLRA3GLRBDAO
SCHEMBL132180 0.75
SCHEMBL128213 0.69 APP (0.34) DAO
SCHEMBL132097 0.67 TSHR (0.37) DAO
SCHEMBL1492740 0.64 DAO (0.43) DAO
SCHEMBL128214 0.63 DAO (0.48) DAO
SCHEMBL23668407 0.63 HDAC8 (0.32)
Hydrochloric Acid SCHEMBL9402263 0.63 DAO (0.42) DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 GLRA3 372/4885GLRB 254/4885DAO 388/4885

“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.