SCHEMBL1318533

SCHEMBL1318533

CN(c1cc(N)c2ccccc2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
NR1I2 O75469 1/20 0.44
C1R P00736 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PRSS1 P07477 1/20 0.42
NR1H3 Q13133 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NR1H2 P55055 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL14115707 0.76 CA12 (0.53) L3MBTL1HTTNPSR1CA12CA9
SCHEMBL4078320 0.76 ALDH1A1 (0.45) L3MBTL1HTTNPC1RAB9AMEN1
SCHEMBL812702 0.73 CA12 (0.78) L3MBTL1HTTCA12CA9NR1I2
SCHEMBL12115844 0.72 RECQL (0.45) L3MBTL1HTTNPSR1C1RPRSS1
SCHEMBL894820 0.72 NR1H3 (0.56) L3MBTL1HTTNPSR1CA12CA9
SCHEMBL7326967 0.72 PGR (0.49) L3MBTL1HTTCA12CA9NR1I2
SCHEMBL9818489 0.71 HTR6 (0.50)
SCHEMBL7333133 0.70 L3MBTL1 (0.56) L3MBTL1HTTNPSR1CA12CA9
SCHEMBL6984894 0.70 L3MBTL1 (0.56) L3MBTL1HTTNPSR1CA12CA9
SCHEMBL2518894 0.69 CA12 (0.71) L3MBTL1HTTCA12CA9NR1I2

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 4 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
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 L3MBTL1 3888/4885HTT 2848/4885NPSR1 939/4885

“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.