SCHEMBL13389986

SCHEMBL13389986

CC(C)(C)OC(=O)CN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HCRTR2 O43614 1/20 0.33
MAPK1 P28482 1/20 0.33
ACLY P53396 1/20 0.33
MAOA P21397 1/20 0.33
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
S1PR1 P21453 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
AHR P35869 2/20 0.32

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
SCHEMBL13389979 0.93 PER2 (0.38) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL11948410 0.93 PER2 (0.38) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL13390109 0.90 PER2 (0.36) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL13390062 0.90 HCRTR2 (0.37) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL13390083 0.87 PER2 (0.38) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL4432775 0.86 TP53 (0.41) PER2CRY1CRY2ALDH1A1TP53
SCHEMBL10356579 0.84 PER2 (0.39) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL13390129 0.84 PER2 (0.38) PER2CRY1CRY2PSEN1PSEN2
SCHEMBL11948414 0.82 HCRTR2 (0.44) PER2CRY1CRY2ALDH1A1HCRTR2
SCHEMBL13390326 0.80 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A

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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 PER2 1689/4885CRY1 727/4885CRY2 2427/4885

“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.