SCHEMBL7081540

SCHEMBL7081540

CCCCCCCCCC(=O)NS(=O)(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.58
AKR1C2 P52895 1/20 0.58
AKR1C1 Q04828 1/20 0.58
MYC P01106 4/20 0.54
MAX P61244 3/20 0.54
PLK1 P53350 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
BCL2 P10415 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP19A1 P11511 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
AR P10275 1/20 0.41
PELP1 Q8IZL8 1/20 0.41
EP300 Q09472 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL7164154 0.88 SMPD1 (0.45) AKR1C3AKR1C2AKR1C1PLK1PLK3
SCHEMBL7078472 0.87 SMN1; SMN2 (0.47) AKR1C3AKR1C2AKR1C1PLK1PLK3
SCHEMBL7077649 0.87 SMPD1 (0.54) PLK1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL7164226 0.85 ALDH1A1 (0.42) AKR1C3AKR1C2AKR1C1PLK1PLK3
SCHEMBL7077448 0.83 PLK1 (0.54) PLK1PLK3MEN1KMT2ASMN1; SMN2
SCHEMBL7080272 0.83 PLK1 (0.54) PLK1PLK3MEN1KMT2ASMN1; SMN2
SCHEMBL7080351 0.83 PLK1 (0.54) PLK1PLK3MEN1KMT2ASMN1; SMN2
SCHEMBL7083321 0.83 PLK1 (0.54) PLK1PLK3MEN1KMT2ASMN1; SMN2
SCHEMBL7080267 0.83 PLK1 (0.54) PLK1PLK3MEN1KMT2ASMN1; SMN2
SCHEMBL7081502 0.83 PLK1 (0.54) PLK1PLK3MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191323-A1 Hypoglycemic agent AJINOMOTO CO., INC. (JP) 2003-10-09 US disclosed
US-20030162818-A1 Acylsulfonamide derivative AJINOMOTO CO. INC. (JP) 2003-08-28 US disclosed
US-6555584-B1 Acetyl-coa carboxylase inhibitors AJINOMOTO CO., INC. (JP) 2003-04-29 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 (2 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-20030162818-A1 Acylsulfonamide derivative ACSS2, ACACA, FASN AKR1C3 228/4885AKR1C2 147/4885AKR1C1 186/4885
US-20030191323-A1 Hypoglycemic agent GPR119, IAPP, SLC5A2 AKR1C3 1038/4885AKR1C2 422/4885AKR1C1 530/4885

“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.