SCHEMBL3388537

SCHEMBL3388537

Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CNc2ccc(C#N)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 8/20 0.55
CCNK O75909 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CDK12 Q9NYV4 1/20 0.41
DPP4 P27487 2/20 0.39
HCRTR1 O43613 5/20 0.38
POLB P06746 1/20 0.37
CYP2D6 P10635 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
GPR6 P46095 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL3390175 0.83 CCR6 (0.44) CCR6CCNKCCNA2CDK2CDK12
SCHEMBL13309094 0.76 POLB (0.48) POLBGAA
SCHEMBL3390593 0.75 POLB (0.41) POLBGAA
SCHEMBL3390663 0.71 POLB (0.53) POLBGAA
SCHEMBL3386500 0.71 POLB (0.50) POLBGAA
SCHEMBL16589448 0.68 POLB (0.42) POLBGAA
SCHEMBL21275485 0.67 KDM4E (0.59) CCR6KDM4E
SCHEMBL3390197 0.67 POLB (0.51) POLBGAA
SCHEMBL3385188 0.65 IDH1 (0.39) DPP4CYP2D6DPP8DPP9DPP7
SCHEMBL3385179 0.65 IDH1 (0.39) DPP4CYP2D6DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B CCR6 1784/4885CCNK 1049/4885CCNA2 1530/4885

“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.