SCHEMBL1319261

SCHEMBL1319261

O=C(O)CN(c1ccc2c(C(=O)NCc3ccncc3)cccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
RORC P51449 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
NAMPT P43490 3/20 0.41
CASP1 P29466 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
POLA1 P09884 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL1322546 0.93 GAA (0.43) MAPTGAAKEAP1NFE2L2POLA1
SCHEMBL1321287 0.91 HTT (0.47) HTTALDH1A1NAMPTGAAKEAP1
SCHEMBL1319769 0.90 GAA (0.42) GAAKEAP1NFE2L2POLA1
SCHEMBL12119699 0.89 RORC (0.42) HTTRORCALDH1A1MAPTNAMPT
SCHEMBL1318917 0.88 HDAC2 (0.42) RORCGAAKEAP1NFE2L2POLA1
SCHEMBL1320456 0.87 KEAP1 (0.43) RORCGAAKEAP1NFE2L2POLA1
SCHEMBL1321342 0.87 HDAC2 (0.41) HTTALDH1A1GAAKEAP1NFE2L2
Hydrochloric Acid SCHEMBL4243923 0.86 HDAC2 (0.42) GAAKEAP1NFE2L2POLA1
SCHEMBL1319580 0.86 KEAP1 (0.48) HTTALDH1A1NAMPTCASP1TDP1
SCHEMBL1110353 0.86 OXTR (0.41) HTTALDH1A1MAPTCASP1KEAP1

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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO 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-20110269761-A1 ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS SULT2A1, UGT1A1, SLC5A1 HTT 2848/4885RORC 309/4885ALDH1A1 49/4885

“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.