SCHEMBL2844185

SCHEMBL2844185

O=C(O)CN(c1ccc2c(C(=O)Nc3ccccc3)cn(CC(=O)O)c2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.40
CPT1B Q92523 1/20 0.40
KEAP1 Q14145 3/20 0.39
NFE2L2 Q16236 3/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR1 P21453 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
PLAU P00749 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR27 Q9NS67 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL2852413 0.90 CPT1A (0.41) CPT1ACPT1BKEAP1NFE2L2ALDH1A1
SCHEMBL2840591 0.89 MEN1 (0.42) CPT1ACPT1BKEAP1NFE2L2ALDH1A1
SCHEMBL11948430 0.85 CPT1A (0.38) CPT1ACPT1BALDH1A1LMNASMN1; SMN2
SCHEMBL11957210 0.82 CPT1A (0.40) CPT1ACPT1BALDH1A1LMNASMN1; SMN2
SCHEMBL2841927 0.82 MEN1 (0.47) KEAP1NFE2L2ALDH1A1MAPTHTT
SCHEMBL1110238 0.81 KDR (0.44) KEAP1NFE2L2ALDH1A1LMNAMAPT
SCHEMBL11948442 0.78 CACNA1H (0.39) CPT1ACPT1BKEAP1NFE2L2ALDH1A1
SCHEMBL2845908 0.77 KEAP1 (0.41) KEAP1NFE2L2ALDH1A1LMNASMN1; SMN2
SCHEMBL2845985 0.77 POLB (0.51) KEAP1NFE2L2ALDH1A1LMNAMAPT
SCHEMBL1110478 0.76 GPR27 (0.47) CPT1ACPT1BKEAP1NFE2L2ALDH1A1

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 5 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
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
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 CPT1A 633/4885CPT1B 1268/4885KEAP1 1538/4885

“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.