SCHEMBL1110172

SCHEMBL1110172

CC(C)(C)OC(=O)CN(c1cccc2c(C(=O)NCc3ccccc3C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
STS P08842 4/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BACE1 P56817 1/20 0.36
TP53 P04637 2/20 0.36
PTGER1 P34995 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34

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
SCHEMBL12119288 0.92 ALDH1A1 (0.37) POLBSMN1; SMN2PTGER1KMT2AALDH1A1
SCHEMBL1110191 0.90 SMN1; SMN2 (0.46) STSHTTSMN1; SMN2NPSR1TP53
SCHEMBL1110482 0.90 SMN1; SMN2 (0.40) POLBSTSHTTSMN1; SMN2NPSR1
SCHEMBL1110154 0.89 BACE1 (0.39) POLBSTSHTTSMN1; SMN2NPSR1
SCHEMBL12119309 0.87 PTGER1 (0.39) HTTPTGER1LMNAALDH1A1GAA
SCHEMBL13658784 0.86 NSD2 (0.40) HTTPTGER1LMNAALDH1A1GAA
SCHEMBL12119188 0.85 PTGER1 (0.45) HTTTP53PTGER1LMNAKMT2A
SCHEMBL12119302 0.83 PTGER1 (0.37) POLBHTTSMN1; SMN2PTGER1LMNA
SCHEMBL12119306 0.82 HSD11B1 (0.47) POLBHTTSMN1; SMN2NPSR1MEN1
SCHEMBL1322996 0.82 STS (0.44) POLBSTSHTTSMN1; SMN2NPSR1

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 POLB 4579/4885STS 191/4885HTT 2848/4885

“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.