SCHEMBL4236964

SCHEMBL4236964

COC(=O)CN(c1ccc2c(C(=O)NCc3ccccc3)cccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
NR1I2 O75469 1/20 0.42
GAA P10253 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
KCNA5 P22460 1/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
PTPN1 P18031 1/20 0.41
APEX1 P27695 1/20 0.40
CACNA1H O95180 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 2/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
HCRTR1 O43613 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL12119245 0.93 POLA1 (0.39) TSHRNR1I2GAAOXTRAVPR1A
SCHEMBL1322546 0.91 GAA (0.43) GAAOXTRAVPR1AKCNA5KEAP1
SCHEMBL12119597 0.90 AKR1B1 (0.40) TSHRGAAKMT2AHDAC3HDAC4
SCHEMBL12119299 0.90 KMT2A (0.38) TSHRNR1I2GAAOXTRAVPR1A
SCHEMBL1754183 0.86 HDAC3 (0.40) GAAKCNA5TP53MEN1HCRTR1
SCHEMBL12119300 0.86 NSD2 (0.46) KCNA5KEAP1NFE2L2APEX1TP53
SCHEMBL12119699 0.85 RORC (0.42) LMNAMAPTMEN1KMT2A
SCHEMBL1319769 0.85 GAA (0.42) GAAOXTRAVPR1AKEAP1NFE2L2
SCHEMBL2055359 0.85 MEN1 (0.38) GAAOXTRAVPR1AKCNA5APEX1
SCHEMBL1319261 0.84 HTT (0.45) GAAKEAP1NFE2L2LMNAMAPT

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
WO-2009127723-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 WO 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 TSHR 844/4885NR1I2 44/4885GAA 204/4885

“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.