SCHEMBL3521379

SCHEMBL3521379

COC(=O)C(Cc1ccccc1)c1ccc(S(=O)(=O)C2CC2)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
GAA P10253 1/20 0.38
EDNRA P25101 1/20 0.37
CHRM1 P11229 1/20 0.37
CA12 O43570 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA1 P00915 2/20 0.37
MMP8 P22894 1/20 0.36
EPHX1 P07099 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
SCHEMBL13786550 0.86 ESR1 (0.43) POLBMEN1KMT2AESR1ESR2
SCHEMBL13786546 0.78 GCK (0.35) CA12CA2CA9CA7CA14
SCHEMBL3513156 0.77 GCK (0.32) POLBMEN1KMT2A
SCHEMBL13144842 0.76 HCRTR2 (0.31)
SCHEMBL13786547 0.73 P4HTM (0.41) KMT2ACHRM1CA12CA2CA9
SCHEMBL1234209 0.72 ESR1 (0.68) POLBMEN1KMT2AESR1ESR2
SCHEMBL2647285 0.70 KCNH2 (0.48) POLB
SCHEMBL13144937 0.70 EPHX1 (0.36) CHRM1CA12CA2CA9CA7
SCHEMBL7042372 0.68 MTNR1A (0.62) POLBMEN1KMT2AESR1ESR2
SCHEMBL3511726 0.68 THRB (0.43) POLBMEN1KMT2AGAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 EP disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 EP disclosed
WO-2009091014-A1 PHENYL ACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-07-23 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 (2 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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC POLB 3457/4885MEN1 4791/4885KMT2A 380/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR POLB 2670/4885MEN1 4615/4885KMT2A 1111/4885

“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.