SCHEMBL3295671

SCHEMBL3295671

Cc1cc(C)cc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)C(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.37
PER2 O15055 1/20 0.35
CRY1 Q16526 1/20 0.35
CRY2 Q49AN0 1/20 0.35
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 4/20 0.34
GLI1 P08151 1/20 0.34
GLI2 P10070 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAOA P21397 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
IDH1 O75874 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
NPC1 O15118 1/20 0.31

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
SCHEMBL3299972 0.93 PTGS2 (0.34) PTGS2PER2CRY1CRY2SLC6A2
SCHEMBL3305106 0.93 PTGS2 (0.34) PTGS2PER2CRY1CRY2SLC6A2
SCHEMBL3298880 0.91 PTGS2 (0.37) PTGS2PER2CRY1CRY2SLC6A2
SCHEMBL3300480 0.88 PTGS2 (0.37) PTGS2PER2CRY1CRY2SLC6A2
SCHEMBL3304821 0.88 PTGS2 (0.37) PTGS2PER2CRY1CRY2SLC6A2
SCHEMBL3303002 0.88 PTGS2 (0.37) PTGS2PER2CRY1CRY2SLC6A2
SCHEMBL3294496 0.84 PTGS2 (0.34) PTGS2PER2CRY1CRY2SLC6A2
SCHEMBL4433156 0.76 KEAP1 (0.52) PER2CRY1CRY2
SCHEMBL3305698 0.75 PTGS2 (0.38) PTGS2MAOANPC1MAPTRAB9A
SCHEMBL3301093 0.74 ACLY (0.32) PTGS2

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 1 patent. 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

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 PTGS2 3933/4885PER2 1689/4885CRY1 727/4885

“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.