SCHEMBL1322996

SCHEMBL1322996

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccccc2CNC(=O)c2cccc3c(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)cccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.44
TGFBR1 P36897 5/20 0.43
POLB P06746 1/20 0.41
BACE1 P56817 1/20 0.41
SETD7 Q8WTS6 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ACHE P22303 1/20 0.37
CCR8 P51685 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
SCHEMBL1319916 0.89 SMN1; SMN2 (0.49) STSTGFBR1HTTSMN1; SMN2NPSR1
SCHEMBL1320855 0.89 STS (0.43) STSTGFBR1BACE1SETD7HTT
SCHEMBL1319382 0.87 STS (0.42) STSTGFBR1POLBBACE1ACHE
SCHEMBL1110235 0.86 CYP3A4 (0.48) POLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1110172 0.82 POLB (0.38) STSPOLBBACE1HTTSMN1; SMN2
SCHEMBL1110334 0.79 KCNA5 (0.46) KDM4EALDH1A1RCE1
SCHEMBL2099939 0.79 ALDH1A1 (0.55) HTTTP53KDM4EALDH1A1RCE1
SCHEMBL1110154 0.78 BACE1 (0.39) STSPOLBBACE1HTTSMN1; SMN2
SCHEMBL1110519 0.78 HPGD (0.58) HTTTP53KDM4EALDH1A1RCE1
SCHEMBL1319352 0.78 SMN1; SMN2 (0.47) STSTGFBR1BACE1HTTSMN1; SMN2

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 3 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
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 STS 191/4885TGFBR1 708/4885POLB 4579/4885

“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.