SCHEMBL1110223

SCHEMBL1110223

CN(C)C(=O)c1cccc(CNC(=O)c2cccc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ LIMK2 P53671 2/20 0.41
▸ TUBB P07437 1/20 0.40
▸ HCRTR2 O43614 5/20 0.40
▸ HCRTR1 O43613 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ ACLY P53396 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ LIMK1 P53667 1/20 0.37

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
SCHEMBL1110530 0.92 TUBB (0.45) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL1320525 0.86 KCNA5 (0.52) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL1110522 0.86 KCNA5 (0.46) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL12119507 0.83 CYP2C9 (0.50) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL4245444 0.83 TUBB (0.49) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL13905620 0.82 TUBB (0.48) KMT2AMEN1MAPTHTTNPSR1
SCHEMBL1110328 0.82 NAMPT (0.55) HTTTUBBALDH1A1KCNA5NAMPT
SCHEMBL1110229 0.81 NAMPT (0.57) KMT2AMEN1ALDH1A1NAMPT
SCHEMBL1322057 0.81 KEAP1 (0.38) KMT2AMEN1HCRTR1NAMPT
SCHEMBL1110231 0.80 HIF1A (0.45) KMT2AMEN1MAPTHTTNPSR1

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-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
EP-2279173-A1 NEW ARYLSULPHONYLGLYCINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-02 — — EP 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 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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