SCHEMBL132083

SCHEMBL132083

CC(C)OC(=O)c1cc[c]s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA7 P43166 7/20 0.43
CA9 Q16790 7/20 0.43
CA14 Q9ULX7 7/20 0.43
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
NPC1 O15118 3/20 0.38
KDM4E B2RXH2 3/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL8545140 0.74 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL290059 0.71
SCHEMBL8545143 0.68 DAO (0.48) CA12CA1CA2CA7CA9
SCHEMBL13747016 0.68 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL137907 0.67 NPC1 (0.62) CA12CA1CA2CA7CA9
SCHEMBL129051 0.67 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL10700176 0.67 NPC1 (0.45) CA12CA1CA2CA7CA9
SCHEMBL6946414 0.67 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL128441 0.67 CA12 (0.39) CA12CA1CA2CA7CA9
SCHEMBL7527292 0.66 CA12 (0.59) 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.