SCHEMBL987762

SCHEMBL987762

CN(Cc1ccc(OCC(=O)O)c(-c2cccc(C#N)c2)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.55
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
STAT3 P40763 1/20 0.42
PTPRS Q13332 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGER1 P34995 1/20 0.41
HSD11B1 P28845 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
FFAR1 O14842 1/20 0.39

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
SCHEMBL2770500 0.93 PTGDR2 (0.55) PTGDR2ALDH1A1LMNAPTPN2PTPN1
SCHEMBL2771657 0.93 PTGDR2 (0.55) PTGDR2ALDH1A1LMNAPTPN2PTPN1
SCHEMBL2775201 0.92 PTGDR2 (0.56) PTGDR2PTPN2PTPN1STAT3PTPRS
SCHEMBL2770654 0.92 PTGDR2 (0.55) PTGDR2ALDH1A1LMNAMAPTPTPN2
SCHEMBL2773348 0.91 PTGDR2 (0.55) PTGDR2ALDH1A1PTPN2PTPN1STAT3
SCHEMBL2773852 0.91 PTGDR2 (0.52) PTGDR2ALDH1A1LMNAPTPN1PTGER2
SCHEMBL2773216 0.90 PTGDR2 (0.46) PTGDR2ALDH1A1LMNAMAPTPTPN1
SCHEMBL2770434 0.90 PTGDR2 (0.54) PTGDR2ALDH1A1LMNAMAPTPTPN2
SCHEMBL2773241 0.90 PTGDR2 (0.54) PTGDR2PTPN2PTPN1STAT3PTPRS
SCHEMBL2771716 0.90 PTGDR2 (0.52) PTGDR2PTPN2PTPN1STAT3PTPRS

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-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 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 377/4885ALDH1A1 205/4885LMNA 3342/4885

“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.