SCHEMBL2772992

SCHEMBL2772992

CN(Cc1cc(F)c(OCC(=O)O)c(-c2cc(F)cc(F)c2)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
KMT2A Q03164 1/20 0.42
MAOA P21397 2/20 0.40
MAOB P27338 1/20 0.40
CASP3 P42574 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
METAP2 P50579 1/20 0.38
BMP1 P13497 1/20 0.37
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
MAPT P10636 1/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 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
SCHEMBL13160788 0.87 PTPN1 (0.41) PTPN1KMT2AMAOAMAOBCASP3
SCHEMBL2770198 0.85 PTGDR2 (0.47) PTPN1KMT2APTGDR2
SCHEMBL2773506 0.85 PTGDR2 (0.51) PTPN1KMT2AMAOAMAOBCASP3
SCHEMBL2772201 0.85 PTGDR2 (0.43) PTPN1KMT2ANPSR1MAPTPTGDR2
SCHEMBL2773052 0.79 PTGDR2 (0.47) PTPN1MAOAMAOBCASP3TAS2R14
SCHEMBL13160864 0.79 PTGDR2 (0.47) PTPN1KMT2AMAOAMAOBCASP3
SCHEMBL2771116 0.78 PTGDR2 (0.48) PTPN1MAPTPTGDR2
SCHEMBL2771754 0.78 PTGDR2 (0.48) PTPN1TAS2R14MAPTPTGDR2
SCHEMBL2772800 0.78 PTGDR2 (0.54) PTPN1PTGDR2
SCHEMBL2772873 0.78 PTGDR2 (0.48) PTPN1KMT2AMAOAMAOBCASP3

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 PTPN1 3204/4885KMT2A 3011/4885MAOA 165/4885

“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.