SCHEMBL9259812

SCHEMBL9259812

CC(C)N1Cc2cccnc2S1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.39
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
SLC40A1 Q9NP59 1/20 0.34
KCNH2 Q12809 3/20 0.33
HRH3 Q9Y5N1 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CACNA1H O95180 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
ADAM17 P78536 1/20 0.32
ABCC4 O15439 1/20 0.32
PTGS1 P23219 1/20 0.32
MTNR1A P48039 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL9252927 0.77 MMP2 (0.35) GRIA2DPP8DPP9SLC40A1IRAK4
SCHEMBL8199408 0.75 GRIA2 (0.44) GRIA2DPP8DPP9SLC40A1KCNH2
SCHEMBL9252901 0.74 DPP8 (0.41) GRIA2DPP8DPP9SLC40A1FFAR4
SCHEMBL9256008 0.73 DPP8 (0.40) DPP8DPP9SLC40A1NAMPT
SCHEMBL9256079 0.72 DPP8 (0.40) DPP8DPP9FFAR4DRD2NAMPT
SCHEMBL9255195 0.72 CACNA1H (0.43) KCNH2HRH3CACNA1HFFAR4ADAM17
SCHEMBL9257457 0.71 DPP8 (0.39) DPP8DPP9MTNR1ANAMPT
SCHEMBL9261326 0.69 FFAR4 (0.33) KCNH2IRAK4CACNA1HFFAR4NAMPT
SCHEMBL30842009 0.68 SLC40A1 (0.39) SLC40A1FFAR4
SCHEMBL9252075 0.65 HRH3 (0.44) DPP8DPP9KCNH2HRH3NAMPT

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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 US 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP GRIA2 4071/4885DPP8 2312/4885DPP9 1589/4885

“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.