SCHEMBL4816161

SCHEMBL4816161

CS(=O)(=O)OCc1ccc2c(c1)CCC2=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.46
MAOA P21397 12/20 0.46
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HSD17B1 P14061 2/20 0.43
HRH3 Q9Y5N1 2/20 0.41
AKR1B1 P15121 1/20 0.40

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
SCHEMBL4814288 0.88 PBRM1 (0.47) MAOBMAOAHRH3AKR1B1
SCHEMBL4816674 0.85 MAOB (0.44) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL8269765 0.77 ITGB3 (0.43)
SCHEMBL20323430 0.77 DAPK3 (0.42)
SCHEMBL5173002 0.76 CASP1 (0.44) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL91586 0.75 HSD17B1 (0.55) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL4808718 0.75 PTGS2 (0.40) MAOBMAOAHSD17B1
SCHEMBL5685785 0.74 MAOB (0.49) MAOBMAOACASP1CASP7HSD17B10
SCHEMBL17453621 0.74 AOC3 (0.52) MAOBMAOAHRH3
SCHEMBL4811875 0.74 PBRM1 (0.41) MAOBMAOAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO 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 (2 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 MAOB 1261/4885MAOA 1625/4885CASP1 2298/4885
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 MAOB 3311/4885MAOA 3621/4885CASP1 1504/4885

“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.