SCHEMBL2848047

SCHEMBL2848047

CCn1c2ccccc2c2cc(N(CC(=O)O)S(=O)(=O)c3cc(Cl)cc(OS(=O)(=O)C(F)(F)F)c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
NPY5R Q15761 1/20 0.39
KEAP1 Q14145 10/20 0.39
NFE2L2 Q16236 10/20 0.39
KDM4E B2RXH2 2/20 0.38
BACE1 P56817 2/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL11948427 0.91 PTGDR2 (0.38) PTGDR2NPY5RKDM4EBACE1MEN1
SCHEMBL2844877 0.90 KEAP1 (0.47) KEAP1NFE2L2KDM4EMEN1HTT
SCHEMBL2846847 0.89 PTGDR2 (0.48) PTGDR2L3MBTL1NPY5RKEAP1NFE2L2
SCHEMBL2847940 0.84 PTGDR2 (0.44) PTGDR2NPY5RKEAP1NFE2L2KDM4E
SCHEMBL2852645 0.82 PTGDR2 (0.42) PTGDR2NPY5RKEAP1NFE2L2KDM4E
SCHEMBL2845666 0.81 PTGDR2 (0.46) PTGDR2L3MBTL1NPY5RKEAP1NFE2L2
SCHEMBL11948421 0.81 KDM4E (0.42) PTGDR2NPY5RKEAP1NFE2L2KDM4E
SCHEMBL11948423 0.81 TSHR (0.46) PTGDR2NPY5RKDM4EMEN1KMT2A
SCHEMBL2841297 0.79 PTGDR2 (0.40) PTGDR2NPY5RKEAP1NFE2L2KDM4E
SCHEMBL2847739 0.77 MAPT (0.58) NPY5RKDM4EMEN1KMT2ASMN1; 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-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
EP-2125718-B1 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-15 EP disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 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-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 PTGDR2 4178/4885L3MBTL1 3679/4885NPY5R 658/4885

“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.