SCHEMBL990363

SCHEMBL990363

COc1ccc(COc2ccc(CN(C)S(=O)(=O)c3ccc(F)cc3)cc2Br)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 9/20 0.54
NFE2L2 Q16236 9/20 0.54
TAS2R14 Q9NYV8 5/20 0.47
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CASP3 P42574 1/20 0.42
BMP1 P13497 1/20 0.42

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
SCHEMBL6958238 0.81 TAS2R14 (0.64) KEAP1NFE2L2TAS2R14MAOAMAOB
SCHEMBL988451 0.79 KEAP1 (0.46) KEAP1NFE2L2TAS2R14BMP1
SCHEMBL987151 0.78 PKM (0.40) KEAP1NFE2L2TAS2R14GAAMAPT
SCHEMBL2772060 0.75 PTGDR2 (0.53) KEAP1NFE2L2TAS2R14
SCHEMBL22718046 0.75 ACLY (0.49) TAS2R14GAAMAPTMAOAMAOB
SCHEMBL4012164 0.74 TAS2R14 (0.53) TAS2R14
SCHEMBL28999402 0.72 APLNR (0.55) KEAP1NFE2L2TAS2R14MAOAMAOB
SCHEMBL22164040 0.72 ACLY (0.48) TAS2R14MAOAMAOBCASP3BMP1
SCHEMBL22816274 0.71 MAOB (0.59) CA12CA1CA2CA7CA9
SCHEMBL1888996 0.71 TAS2R14 (0.81) TAS2R14

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-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 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-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS HSD17B12, CYP2A13, CYP27A1 KEAP1 535/4885NFE2L2 230/4885TAS2R14 3562/4885

“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.