SCHEMBL128441

SCHEMBL128441

CC(C)OC(=O)c1c[c]cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.39
CA1 P00915 6/20 0.39
CA2 P00918 6/20 0.39
CA7 P43166 6/20 0.39
CA9 Q16790 6/20 0.39
CA14 Q9ULX7 6/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ADRA1A P35348 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 3/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL130570 0.71 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10MAPK1KDM4E
SCHEMBL8545140 0.70 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL27290349 0.68 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10MAPK1KDM4E
SCHEMBL1905348 0.67
SCHEMBL4473289 0.67
SCHEMBL162996 0.67 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL28296615 0.67 KMT2A (0.41) CA12CA1CA2CA7CA9
Ammonia Solution, Strong SCHEMBL27934533 0.67 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10MAPK1KDM4E
SCHEMBL132083 0.67 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL127342 0.67 CA12 (0.47) CA12CA1CA2CA7CA9

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-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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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 CA12 2239/4885CA1 2208/4885CA2 1429/4885

“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.