SCHEMBL2770744

SCHEMBL2770744

COc1cc(F)cc(-c2cc(CN(C)S(=O)(=O)c3ccc(F)c(F)c3)ccc2OCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.45
PTGER2 P43116 2/20 0.45
FFAR1 O14842 3/20 0.42
PPARD Q03181 4/20 0.41
PTPN1 P18031 1/20 0.41
PPARA Q07869 3/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
MAPT P10636 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PPARG P37231 1/20 0.40
BMP1 P13497 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
SCHEMBL2771457 0.95 TAS2R14 (0.47) PTGDR2PTGER2FFAR1PPARDPTPN1
SCHEMBL2771116 0.94 PTGDR2 (0.48) PTGDR2PTGER2PTPN1MAPT
SCHEMBL2770497 0.92 PTGDR2 (0.44) PTGDR2PTGER2FFAR1PPARDPTPN1
SCHEMBL2773052 0.92 PTGDR2 (0.47) PTGDR2PTGER2FFAR1PPARDPTPN1
SCHEMBL13160688 0.90 PTGDR2 (0.45) PTGDR2PTGER2PTPN1MAPT
SCHEMBL2771754 0.89 PTGDR2 (0.48) PTGDR2FFAR1PPARDPTPN1TAS2R14
SCHEMBL2771688 0.87 PTGER2 (0.44) PTGDR2PTGER2PTPN1MAPT
SCHEMBL2770627 0.86 PTGDR2 (0.47) PTGDR2PTGER2PTPN1
SCHEMBL2770575 0.86 PTGDR2 (0.47) PTGDR2PTPN1MAPT
SCHEMBL2771359 0.85 MAPT (0.41) PTGDR2PTGER2TAS2R14MAPT

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 11 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
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 377/4885PTGER2 642/4885FFAR1 213/4885

“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.