SCHEMBL4136683

SCHEMBL4136683

CS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCOCC2)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.51
PTK2 Q05397 3/20 0.51
JAK2 O60674 2/20 0.51
USP30 Q70CQ3 2/20 0.39
CYP3A4 P08684 1/20 0.39
DRD3 P35462 1/20 0.38
PTGS2 P35354 3/20 0.38
AKR1C3 P42330 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PIK3CA P42336 2/20 0.37
PIK3CG P48736 2/20 0.37
HTR2C P28335 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4152780 0.90 JAK2 (0.47) JAK3PTK2JAK2CYP3A4PTGS2
SCHEMBL4140906 0.89 USP30 (0.43) JAK3PTK2JAK2USP30DRD3
SCHEMBL4140902 0.89 USP30 (0.43) JAK3PTK2JAK2USP30DRD3
SCHEMBL4142661 0.89 USP30 (0.43) JAK3PTK2JAK2USP30DRD3
SCHEMBL4144821 0.89 USP30 (0.43) JAK3PTK2JAK2USP30DRD3
SCHEMBL4141084 0.89 JAK2 (0.42) JAK3PTK2JAK2DRD3PIK3CA
SCHEMBL4139871 0.88 USP30 (0.43) JAK3PTK2JAK2USP30DRD3
SCHEMBL4145001 0.84 CHRM2 (0.44) JAK3PTK2JAK2USP30DRD3
SCHEMBL4148493 0.84 MTOR (0.40) JAK3PTK2JAK2USP30DRD3
SCHEMBL4136207 0.82 USP30 (0.42) JAK3PTK2JAK2USP30DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 JAK3 488/4885PTK2 2784/4885JAK2 1077/4885

“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.