SCHEMBL6760015

SCHEMBL6760015

O=C(O)N1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
NPY5R Q15761 4/20 0.45
NPY1R P25929 3/20 0.45
DRD2 P14416 1/20 0.45
ADRA2C P18825 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL6418180 0.83 MEN1 (0.49) SMN1; SMN2LMNAHTTALDH1A1CYP1A2
SCHEMBL6418177 0.83 MEN1 (0.49) SMN1; SMN2LMNAHTTALDH1A1CYP1A2
SCHEMBL6982501 0.82 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5888030 0.79 MEN1 (0.46) SMN1; SMN2LMNAHTTALDH1A1CYP1A2
SCHEMBL5888033 0.79 MEN1 (0.46) SMN1; SMN2LMNAHTTALDH1A1CYP1A2
SCHEMBL19639684 0.74 MEN1 (0.47) SMN1; SMN2LMNAHTTALDH1A1CYP1A2
SCHEMBL4181150 0.73 CYP19A1 (0.65) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29791528 0.73 CYP19A1 (0.65) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL27917787 0.72 TGFBR1 (0.48) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL5724845 0.72 TGFBR1 (0.61) LMNAALDH1A1MGLLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use LABORATORIES FOURNIER S.A. (FR) 2004-04-01 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 (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-20040063725-A1 Novel n(phenylsulphonyl)glycine derivatives and their therapeutic use GLS, GLS2, GLRB SMN1; SMN2 398/4885LMNA 3236/4885HTT 614/4885

“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.