SCHEMBL9256079

SCHEMBL9256079

CC(C)N1Cc2cccnc2CCS1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
NAMPT P43490 13/20 0.35
HDAC6 Q9UBN7 1/20 0.33
TIPARP Q7Z3E1 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
ACVR1 Q04771 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL9257457 0.90 DPP8 (0.39) DPP8DPP9NAMPTTIPARP
SCHEMBL9252901 0.85 DPP8 (0.41) DPP8DPP9NAMPTTIPARPFFAR4
SCHEMBL9256008 0.81 DPP8 (0.40) DPP8DPP9NAMPTTIPARP
SCHEMBL9252057 0.78 MAOA (0.46) DRD2DRD3
SCHEMBL9256107 0.73 SIGMAR1 (0.40) NAMPTTIPARP
SCHEMBL9256115 0.73 SIGMAR1 (0.40) NAMPTTIPARP
SCHEMBL29391878 0.72 HRH1 (0.42) DPP8DPP9NAMPTHDAC6DRD2
SCHEMBL6124125 0.72 HRH1 (0.42) DPP8DPP9NAMPTHDAC6DRD2
SCHEMBL9252927 0.72 MMP2 (0.35) DPP8DPP9FFAR4
SCHEMBL9259812 0.72 GRIA2 (0.39) DPP8DPP9NAMPTDRD2FFAR4

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 DPP8 2312/4885DPP9 1589/4885NAMPT 1564/4885

“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.