SCHEMBL7008014

SCHEMBL7008014

COc1cc(C)c(S(=O)(=O)NCCCCCCNc2nsc3nccn23)c(C)c1C

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 8/20 0.62
TGM1 P22735 2/20 0.52
NMT1 P30419 2/20 0.40
F2 P00734 1/20 0.36
NPY5R Q15761 1/20 0.35
AVPR1A P37288 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL7003653 0.86 F13A1 (0.73) F13A1TGM1
SCHEMBL7006472 0.82 F13A1 (0.70) F13A1TGM1NPY5RALDH1A1
SCHEMBL7007890 0.81 F13A1 (0.66) F13A1TGM1ALDH1A1
SCHEMBL7004379 0.79 F13A1 (0.64) F13A1TGM1NPY5R
SCHEMBL7005720 0.78 F13A1 (0.80) F13A1TGM1ALDH1A1
SCHEMBL7008678 0.77 F13A1 (1.00) F13A1TGM1NPY5RALDH1A1
SCHEMBL7006433 0.77 F13A1 (0.71) F13A1TGM1NPY5R
SCHEMBL7006992 0.77 F13A1 (1.00) F13A1TGM1ALDH1A1
SCHEMBL7007822 0.77 F13A1 (0.75) F13A1TGM1NPY5RALDH1A1
SCHEMBL7007665 0.77 F13A1 (0.71) F13A1TGM1CYP19A1

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 7/4885NMT1 327/4885

“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.