SCHEMBL7008472

SCHEMBL7008472

O=C(O)CN(CCCCCCNc1nsc2nccn12)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 10/20 0.57
TGM1 P22735 4/20 0.52
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR7 P34969 2/20 0.37
NPY5R Q15761 3/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL7007196 0.92 F13A1 (0.54) F13A1TGM1KEAP1NFE2L2HTR2A
SCHEMBL7004876 0.92 F13A1 (0.56) F13A1TGM1KEAP1NFE2L2HTR2A
SCHEMBL7007271 0.89 F13A1 (0.56) F13A1TGM1HTR2AHTR2CHTR7
SCHEMBL7005996 0.89 F13A1 (0.54) F13A1TGM1HTR2AHTR2CHTR7
SCHEMBL7080074 0.88 F13A1 (0.59) F13A1TGM1HTR2AHTR2CHTR7
SCHEMBL7004053 0.85 F13A1 (0.54) F13A1TGM1
SCHEMBL7007005 0.83 F13A1 (0.75) F13A1TGM1HTR2AHTR7NPY5R
SCHEMBL7007199 0.79 F13A1 (0.62) F13A1TGM1HTR2AHTR7NPY5R
SCHEMBL7002966 0.74 F13A1 (0.52) F13A1TGM1HDAC1HDAC6
SCHEMBL7011438 0.74 F13A1 (0.77) F13A1TGM1NPY5RHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225007-A1 Sulfonamide derivatives of 3-substituted imidazol[1,2-d]-1,2,4-thiadiazoles and 3-substituted-[1,2,4] thiadiazolo[4,5-a] benzimidazole as inhibitors of fibrin cross-linking and transglutaminases APOTEX INC. 2003-12-04 US disclosed
EP-1348710-A1 Sulfonamide derivatives of 3-substituted imidazo[1,2-D]-1,2,4-thiadiazoles and 3-substituted-[1,2,4]thiadiazolo[4,5-A]benzimidazole as inhibitors of fibrin cross-linking and transglutaminases Apotex Inc. (CA) 2003-10-01 EP 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-20030225007-A1 Sulfonamide derivatives of 3-substituted imidazol[1,2-d]-1,2,4-thiadiazoles and 3-substituted-[1,2,4] thiadiazolo[4,5-a] benzimidazole as inhibitors of fibrin cross-linking and transglutaminases PIGS, FGB, SERPINE1 F13A1 14/4885TGM1 7/4885KEAP1 3662/4885

“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.