SCHEMBL130704

SCHEMBL130704

CCCCCOCC(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.52
HTT P42858 2/20 0.50
SPHK1 Q9NYA1 1/20 0.46
PRKD3 O94806 1/20 0.44
PRKCG P05129 1/20 0.44
PRKCB P05771 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCH P24723 1/20 0.44
PRKCI P41743 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCZ Q05513 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKD1 Q15139 1/20 0.44
LPAR1 Q92633 7/20 0.43
LPAR3 Q9UBY5 7/20 0.43
LPAR5 Q9H1C0 4/20 0.43
LPAR2 Q9HBW0 4/20 0.43
LPAR6 P43657 3/20 0.43
LPAR4 Q99677 3/20 0.43

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
SCHEMBL25677702 0.98 USP2 (0.55) USP2HTTSPHK1PRKD3PRKCG
SCHEMBL129126 0.98 USP2 (0.55) USP2HTTSPHK1PRKD3PRKCG
SCHEMBL128032 0.92
SCHEMBL128128 0.81
SCHEMBL96285 0.77 USP2 (0.54) USP2HTTSPHK1PRKD3PRKCG
SCHEMBL18068161 0.77 HTT (0.33) USP2HTT
SCHEMBL11267791 0.77 USP2 (0.54) USP2HTTSPHK1PRKD3PRKCG
SCHEMBL29300033 0.77 HSD17B10 (0.48) USP2HTTMEN1THRBKMT2A
Fluoromethane SCHEMBL14348297 0.75 THRB (0.59) USP2HTTSPHK1MEN1THRB
SCHEMBL4489928 0.75 USP2 (0.57) USP2HTTSPHK1PRKD3PRKCG

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 USP2 3605/4885HTT 3059/4885SPHK1 772/4885

“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.