SCHEMBL2194692

SCHEMBL2194692

O=C(c1[nH]c2ccccc2c1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2B P41595 1/20 0.48
MAPK14 Q16539 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SPR P35270 1/20 0.46

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
SCHEMBL2191831 0.93 MEN1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2197250 0.91 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2194650 0.89 MEN1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2193821 0.89 MEN1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2192821 0.89 MEN1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2193085 0.88 CYP2C9 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2192205 0.87 CYP2C9 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2190538 0.85 SPR (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2195865 0.85 HTT (0.51) CA12CA1CA2CA7CA9
SCHEMBL2189913 0.85 CYP2C9 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172244-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-07-14 US claimed
EP-2252586-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-11-24 EP claimed
WO-2009105722-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO claimed
US-20110172244-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-07-14 US disclosed
US-20110172244-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-07-14 US disclosed
US-20110172244-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-07-14 US disclosed
EP-2252586-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2010-11-24 EP disclosed
WO-2009105722-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 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-20110172244-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 GRIN2D 1516/4885GRIN3B 402/4885GRIN1 345/4885

“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.