SCHEMBL19829584

SCHEMBL19829584

Cc1c(F)cc(S(C)(=N)=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTGS2 P35354 8/20 0.35
KIF11 P52732 1/20 0.33
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA9 Q16790 4/20 0.32
CA12 O43570 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
PTGS1 P23219 1/20 0.31
CA3 P07451 1/20 0.31
DRD1 P21728 1/20 0.30

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
SCHEMBL14706960 0.81 PTGS2 (0.46) HDAC1HDAC6PTGS2KIF11
SCHEMBL19833060 0.80 CA1 (0.37) PTGS2KIF11CA1CA2CA9
SCHEMBL4136925 0.78 HDAC1 (0.40) HDAC1HDAC6PTGS2CA1CA2
SCHEMBL19833061 0.76 EPAS1 (0.39) PTGS2KIF11CA1CA9CA12
SCHEMBL21330942 0.76 KMT2A (0.46) PTGS2KIF11CA1CA2CA9
SCHEMBL17937375 0.75 DRD1 (0.33) PTGS2KIF11CA2DRD1
SCHEMBL26795602 0.75 TSHR (0.35) PTGS2
SCHEMBL26795603 0.75 TSHR (0.35) PTGS2
SCHEMBL603929 0.74 CA2 (0.55) PTGS2CA1CA2CA9CA12
SCHEMBL22396634 0.74 HDAC1 (0.42) HDAC1HDAC6PTGS2CA1CA2

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-20180028500-A1 New Azabenzimidazole Derivatives as Agonists of the AMP-Activated Protein Kinase BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-02-01 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-20180028500-A1 New Azabenzimidazole Derivatives as Agonists of the AMP-Activated Protein Kinase PRKAB1, PRKAG1, PRKAB2 HDAC1 524/4885HDAC6 1606/4885PTGS2 2278/4885

“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.