SCHEMBL1110191

SCHEMBL1110191

CC(C)(C)OC(=O)CN(c1cccc2c(C(=O)NCc3ccc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C19 P33261 1/20 0.41
HSD11B1 P28845 4/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 2/20 0.38
NAMPT P43490 3/20 0.37
STS P08842 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
RORC P51449 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL1110482 0.94 SMN1; SMN2 (0.40) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL12119306 0.92 HSD11B1 (0.47) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL1110172 0.90 POLB (0.38) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL1110100 0.90 SMN1; SMN2 (0.44) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL12119625 0.87 EPHX2 (0.38) HTTNPSR1LMNACA12CA1
SCHEMBL12119698 0.87 EPHX2 (0.38) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL12119357 0.86 HSD11B1 (0.40) SMN1; SMN2NPSR1HSD11B1TP53NAMPT
SCHEMBL12119705 0.86 EPHX2 (0.40) SMN1; SMN2HTTNPSR1MEN1KMT2A
SCHEMBL13658799 0.85 NSD2 (0.39) HTTMEN1KMT2AMAPTCA12
SCHEMBL12119341 0.84 KEAP1 (0.47) SMN1; SMN2LMNAMAPTTP53

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 SMN1; SMN2 2627/4885HTT 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.