SCHEMBL4808936

SCHEMBL4808936

CCc1cc2c(cc1OS(=O)(=O)C(F)(F)F)CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
HSD17B1 P14061 2/20 0.37
DRD2 P14416 4/20 0.36
HTR1D P28221 3/20 0.36
DRD3 P35462 3/20 0.36
PTGS2 P35354 3/20 0.35

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
SCHEMBL1027802 0.83 MAOB (0.37) MAOBDRD2HTR1DDRD3PTGS2
SCHEMBL2303778 0.82 MEN1 (0.41) PTGS2
SCHEMBL4809246 0.82 MEN1 (0.41) PTGS2
SCHEMBL4456861 0.82 MAOB (0.36) MAOBDRD2HTR1DDRD3PTGS2
SCHEMBL17977038 0.79 CYP3A4 (0.48) MAOBDRD2HTR1DDRD3PTGS2
SCHEMBL4816146 0.76 HSD17B1 (0.54) HSD17B1
SCHEMBL24362288 0.76 MAOA (0.38) MAOBHSD17B1DRD2DRD3PTGS2
SCHEMBL29600396 0.76 MAOA (0.38) MAOBHSD17B1DRD2DRD3PTGS2
SCHEMBL27087599 0.74 DRD2 (0.35) DRD2HTR1DDRD3
SCHEMBL29600467 0.74 MAOA (0.38) MAOBDRD2PTGS2

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 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 (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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 MAOB 3311/4885HSD17B1 2373/4885DRD2 4883/4885

“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.