SCHEMBL7006313

SCHEMBL7006313

O=C(O)NCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 3/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
CYP19A1 P11511 1/20 0.53
THRB P10828 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 2/20 0.51
F13A1 P00488 1/20 0.49
TGM1 P22735 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL7006320 1.00 NPY5R (0.62) NPY5RKMT2AMEN1ALDH1A1CA1
SCHEMBL7014453 0.96 NPY5R (0.67) NPY5RKMT2AMEN1ALDH1A1CA1
SCHEMBL7007035 0.96 NPY5R (0.67) NPY5RKMT2AMEN1ALDH1A1CA1
SCHEMBL7010520 0.96 NPY5R (0.67) NPY5RKMT2AMEN1ALDH1A1CA1
SCHEMBL7007042 0.96 NPY5R (0.67) NPY5RKMT2AMEN1ALDH1A1CA1
SCHEMBL7006639 0.96 NPY5R (0.67) NPY5RKMT2AMEN1ALDH1A1CA1
SCHEMBL1983510 0.96 NPY5R (0.67) NPY5RKMT2AMEN1ALDH1A1CA1
SCHEMBL7012950 0.96 NPY5R (0.67) NPY5RKMT2AMEN1ALDH1A1CA1
SCHEMBL1983511 0.96 NPY5R (0.67) NPY5RKMT2AMEN1ALDH1A1CA1
SCHEMBL7006631 0.96 NPY5R (0.67) NPY5RKMT2AMEN1ALDH1A1CA1

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
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 WO disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed
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 NPY5R 4498/4885KMT2A 1952/4885MEN1 3661/4885

“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.