SCHEMBL2772201

SCHEMBL2772201

CN(Cc1cc(F)c(OCC(=O)O)c(-c2cccc(C#N)c2)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.43
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.40
STAT3 P40763 1/20 0.40
PTPRS Q13332 1/20 0.40
KMT2A Q03164 2/20 0.39
CXCR3 P49682 1/20 0.38
HSD11B1 P28845 1/20 0.38
PTGER2 P43116 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
MCHR1 Q99705 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FFAR1 O14842 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ADAMTS4 O75173 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
SCHEMBL987762 0.87 PTGDR2 (0.55) PTGDR2PTPN1PTPN2STAT3PTPRS
SCHEMBL13160788 0.87 PTPN1 (0.41) PTGDR2PTPN1KMT2ANPSR1HSD17B1
SCHEMBL2770198 0.85 PTGDR2 (0.47) PTGDR2PTPN1PTPN2KMT2AHSD17B1
SCHEMBL2772992 0.85 PTPN1 (0.44) PTGDR2PTPN1KMT2ANPSR1ALDH1A1
SCHEMBL2770956 0.83 PTGDR2 (0.52) PTGDR2PTPN1PTPN2STAT3PTPRS
SCHEMBL2770654 0.81 PTGDR2 (0.55) PTGDR2PTPN1PTPN2STAT3PTPRS
SCHEMBL2771657 0.80 PTGDR2 (0.55) PTGDR2PTPN1PTPN2STAT3PTPRS
SCHEMBL2770500 0.80 PTGDR2 (0.55) PTGDR2PTPN1PTPN2STAT3PTPRS
SCHEMBL2772337 0.80 PTGDR2 (0.52) PTGDR2PTPN1PTPN2STAT3PTPRS
SCHEMBL2773852 0.80 PTGDR2 (0.52) PTGDR2PTPN1PTGER2KDM4EALDH1A1

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 9 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

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 377/4885PTPN1 3204/4885PTPN2 2695/4885

“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.