SCHEMBL3299934

SCHEMBL3299934

CC(C)(C)C(C(=O)O)N(c1ccc2[nH]cc(C#N)c2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.34
XDH P47989 1/20 0.34
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PFKFB2 O60825 1/20 0.32
PFKFB1 P16118 1/20 0.32
PFKFB3 Q16875 1/20 0.32
SLC6A4 P31645 3/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NR3C1 P04150 1/20 0.31
HSD11B1 P28845 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL3297160 0.88 MGAM (0.34) MGAMGAASIMGAM2HPGD
SCHEMBL3302816 0.87 MGAM (0.35) MGAMGAASIMGAM2HPGD
SCHEMBL3298532 0.86 MGAM (0.33) MGAMGAASIMGAM2HPGD
SCHEMBL3300940 0.85 HTR6 (0.41) SLC6A4HSD17B10NR3C1HTR6
SCHEMBL3303945 0.84 MMP7 (0.35) MGAMGAASIMGAM2HPGD
SCHEMBL3300480 0.81 PTGS2 (0.37) SLC6A4HSD11B1
SCHEMBL3299041 0.79 KDM4E (0.39) HPGDHSD11B1
SCHEMBL3301653 0.78 ALDH1A1 (0.36) HSD11B1
SCHEMBL13390069 0.76 PFKFB2 (0.35) IMPDH2XDHPFKFB2PFKFB1PFKFB3
SCHEMBL3305698 0.76 PTGS2 (0.38) GAAHSD11B1

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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 IMPDH2 2209/4885XDH 196/4885MGAM 55/4885

“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.