SCHEMBL1110645

SCHEMBL1110645

O=C(O)c1ccc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.59
CPT1A P50416 2/20 0.55
CPT1B Q92523 2/20 0.55
CPT2 P23786 1/20 0.55
WDR5 P61964 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PGR P06401 2/20 0.49
ACLY P53396 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1110224 0.96 AKR1C3 (0.60) AKR1C3CPT1ACPT1BCPT2WDR5
SCHEMBL1110453 0.88 CHEK2 (0.48) AKR1C3CPT1ACPT1BCPT2PGR
SCHEMBL1110316 0.86 PLAU (0.57) PGRLMNASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL1110670 0.85 PGR (0.50) AKR1C3CPT1ACPT1BCPT2PGR
SCHEMBL1110252 0.84 CHEK2 (0.49) AKR1C3CPT1ACPT1BCPT2PGR
SCHEMBL1320783 0.82 KMT2A (0.58) AKR1C3CPT1ACPT1BCPT2MEN1
SCHEMBL12115929 0.82 CPT1A (0.50) AKR1C3CPT1ACPT1BCPT2PGR
SCHEMBL12115916 0.81 GPR27 (0.70) CPT1ACPT1BCPT2MEN1KMT2A
SCHEMBL29561210 0.80 POLB (0.71) AKR1C3WDR5MEN1KMT2APGR
SCHEMBL28280866 0.80 POLB (0.71) AKR1C3WDR5MEN1KMT2APGR

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 6 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
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 AKR1C3 457/4885CPT1A 174/4885CPT1B 975/4885

“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.