SCHEMBL2773348

SCHEMBL2773348

COc1ccc(S(=O)(=O)N(C)Cc2ccc(OCC(=O)O)c(-c3cccc(C#N)c3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.55
KEAP1 Q14145 3/20 0.44
NFE2L2 Q16236 3/20 0.44
STAT3 P40763 2/20 0.42
HSD11B1 P28845 1/20 0.42
PTPN1 P18031 3/20 0.42
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPRS Q13332 1/20 0.42
TAS2R14 Q9NYV8 2/20 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
SCHEMBL2775201 0.92 PTGDR2 (0.56) PTGDR2KEAP1NFE2L2STAT3PTPN1
SCHEMBL987762 0.91 PTGDR2 (0.55) PTGDR2STAT3HSD11B1PTPN1FFAR1
SCHEMBL2773852 0.89 PTGDR2 (0.52) PTGDR2PTPN1FFAR1ALDH1A1
SCHEMBL2770434 0.88 PTGDR2 (0.54) PTGDR2STAT3PTPN1FFAR1ALDH1A1
SCHEMBL2772134 0.88 PTGDR2 (0.58) PTGDR2STAT3HSD11B1PTPN1ALDH1A1
SCHEMBL2770654 0.88 PTGDR2 (0.55) PTGDR2STAT3PTPN1FFAR1ALDH1A1
SCHEMBL2770500 0.88 PTGDR2 (0.55) PTGDR2STAT3PTPN1FFAR1ALDH1A1
SCHEMBL2771657 0.88 PTGDR2 (0.55) PTGDR2STAT3PTPN1FFAR1ALDH1A1
SCHEMBL2772200 0.88 PTGDR2 (0.65) PTGDR2
SCHEMBL2771300 0.88 PTGDR2 (0.58) PTGDR2KEAP1NFE2L2FFAR1ALDH1A1

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.