SCHEMBL3300940

SCHEMBL3300940

CCc1c[nH]c2ccc(N(C(C(=O)O)C(C)(C)C)S(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
NR3C1 P04150 1/20 0.38
IDO1 P14902 1/20 0.37
SNCA P37840 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP14 P50281 1/20 0.36
TSHR P16473 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ADRB2 P07550 1/20 0.35
RECQL P46063 1/20 0.35
SLC6A4 P31645 3/20 0.34
HTR2A P28223 2/20 0.34
MPO P05164 1/20 0.34
F2 P00734 1/20 0.34

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 0.89 MGAM (0.34) HTR6NR3C1LMNAMAPTHSD17B10
SCHEMBL3302816 0.88 MGAM (0.35) HTR6NR3C1HSD17B10
SCHEMBL3298532 0.87 MGAM (0.33) HTR6NR3C1MMP9MMP8MMP14
SCHEMBL3303945 0.86 MMP7 (0.35) NR3C1KMT2AMEN1HSD17B10
SCHEMBL3299934 0.85 IMPDH2 (0.34) HTR6NR3C1SLC6A4HSD17B10
SCHEMBL3299041 0.80 KDM4E (0.39) KDM4EALDH1A1MAPT
SCHEMBL3300480 0.80 PTGS2 (0.37) SLC6A4
SCHEMBL3301653 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10317101 0.79 HTR6 (0.44) HTR6NR3C1IDO1SNCAALDH1A1
SCHEMBL3305698 0.77 PTGS2 (0.38) KDM4EKMT2AMEN1ALDH1A1LMNA

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 HTR6 2697/4885NR3C1 264/4885IDO1 1295/4885

“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.