SCHEMBL2773052

SCHEMBL2773052

COc1cc(F)cc(-c2cc(CN(C)S(=O)(=O)c3ccc(F)cc3)ccc2OCC(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.47
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
TAS2R14 Q9NYV8 4/20 0.44
PTPN1 P18031 1/20 0.41
PTGER2 P43116 2/20 0.41
FFAR1 O14842 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CASP3 P42574 1/20 0.40

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
SCHEMBL2773506 0.93 PTGDR2 (0.51) PTGDR2KEAP1NFE2L2TAS2R14PTPN1
SCHEMBL2772873 0.93 PTGDR2 (0.48) PTGDR2KEAP1NFE2L2TAS2R14PTPN1
SCHEMBL2771457 0.92 TAS2R14 (0.47) PTGDR2KEAP1NFE2L2TAS2R14PTPN1
SCHEMBL2770744 0.92 PTGDR2 (0.45) PTGDR2KEAP1NFE2L2TAS2R14PTPN1
SCHEMBL2773945 0.91 PTGDR2 (0.44) PTGDR2KEAP1NFE2L2TAS2R14PTPN1
SCHEMBL2772060 0.91 PTGDR2 (0.53) PTGDR2KEAP1NFE2L2TAS2R14PTPN1
SCHEMBL2770347 0.90 PPARD (0.48) PTGDR2KEAP1NFE2L2TAS2R14FFAR1
SCHEMBL2770497 0.90 PTGDR2 (0.44) PTGDR2PTPN1PTGER2FFAR1MAPT
SCHEMBL13160864 0.89 PTGDR2 (0.47) PTGDR2KEAP1NFE2L2PTPN1ALDH1A1
SCHEMBL2771155 0.88 PTGDR2 (0.57) PTGDR2PTPN1ALDH1A1LMNAMAPT

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 claimed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US claimed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO claimed
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-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 PTGDR2 377/4885KEAP1 535/4885NFE2L2 230/4885

“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.