SCHEMBL3537637

SCHEMBL3537637

NS(=O)(=O)c1nn2c(-c3ccc(OC(F)(F)F)cc3)cnc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
DYRK1A Q13627 1/20 0.40
ALPI P09923 1/20 0.40
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
KCNH2 Q12809 2/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
FYN P06241 4/20 0.37
CA3 P07451 2/20 0.37

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
SCHEMBL2973415 0.88 DYRK1A (0.51) DYRK1AFYN
SCHEMBL3542403 0.86 DYRK1A (0.56) DYRK1AFYN
SCHEMBL2985665 0.84 DYRK1A (0.46) PIK3CADYRK1APTGS2PTGS1CA12
SCHEMBL2969001 0.84 CA12 (0.51) PIK3CAPTGS2CA12CA1CA2
SCHEMBL2981234 0.83 KIF11 (0.46) PIK3CADYRK1APTGS2PTGS1CA12
SCHEMBL2983702 0.82 CA12 (0.48) PTGS2PTGS1KCNH2CA12CA1
SCHEMBL2977105 0.82 MEN1 (0.43) CA12CA1CA2CA9FYN
SCHEMBL2984827 0.81 CA12 (0.43) PIK3CAPTGS2CA12CA1CA2
SCHEMBL2985782 0.81 FYN (0.44) CA12CA1CA2CA9FYN
SCHEMBL2977228 0.81 CA12 (0.48) PIK3CAPTGS2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714003-B2 Imidazo[2,1-b ]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS INC. (CA) 2010-05-11 US disclosed
US-20090042953-A1 IMIDAZO [2,1,-b]-1,3,4-THIADIAZOLE SULFONAMIDES AEGERA THERAPEUTICS, INC. (CA) 2009-02-12 US disclosed
US-20070265319-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-11-15 US disclosed
US-20070238768-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides AEGERA THERAPEUTICS, INC. (CA) 2007-10-11 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 (3 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-20090042953-A1 IMIDAZO [2,1,-b]-1,3,4-THIADIAZOLE SULFONAMIDES PMP22, SMN1; SMN2, BDNF PIK3CA 2794/4885DYRK1A 3634/4885ALPI 2931/4885
US-20070265319-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF PIK3CA 2635/4885DYRK1A 4068/4885ALPI 2707/4885
US-20070238768-A1 Imidazo[2,1-b]-1,3,4-thiadiazole sulfonamides SMN1; SMN2, PMP22, BDNF PIK3CA 2635/4885DYRK1A 4068/4885ALPI 2707/4885

“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.