SCHEMBL1320740

SCHEMBL1320740

Cc1cc(C)cc(S(=O)(=O)Nc2ccc3cc(C(=O)NCc4ccccc4)ccc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ NR1H4 Q96RI1 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ GPR27 Q9NS67 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48

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
SCHEMBL1317912 0.87 MAPT (0.53) KMT2AMEN1MAPTNR1H4TDP1
SCHEMBL13658689 0.83 MAPT (0.49) KMT2AMEN1MAPTNR1H4TDP1
SCHEMBL12119339 0.82 MAPT (0.48) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL1110211 0.81 AKR1C3 (0.60) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL11902028 0.78 NR1H4 (0.79) NR1H4ALDH1A1HSD17B10HDAC3HDAC4
SCHEMBL12116677 0.76 ALDH1A1 (0.48) NR1H4ALDH1A1GAAHSD17B10HTT
SCHEMBL7322835 0.76 MEN1 (0.58) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL14894197 0.75 NR1H4 (0.85) MAPTNR1H4ALDH1A1HDAC3HDAC4
SCHEMBL12010899 0.75 MAPT (0.72) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL14894166 0.74 GAA (0.71) KMT2AMEN1ALDH1A1GAAHSD17B10

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 KMT2A 645/4885MEN1 3970/4885MAPT 4383/4885

“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.

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