SCHEMBL2773852

SCHEMBL2773852

COc1ccc(S(=O)(=O)N(C)Cc2ccc(OCC(=O)O)c(-c3cccc(C#N)c3)c2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.52
ALDH1A1 P00352 2/20 0.42
MEP1B Q16820 1/20 0.42
PTPN1 P18031 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FFAR1 O14842 5/20 0.42
PTGER2 P43116 1/20 0.42
LMNA P02545 1/20 0.42
PPARD Q03181 2/20 0.41
ACLY P53396 1/20 0.41

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
SCHEMBL2770434 0.94 PTGDR2 (0.54) PTGDR2ALDH1A1PTPN1KDM4EFFAR1
SCHEMBL2770654 0.94 PTGDR2 (0.55) PTGDR2ALDH1A1PTPN1KDM4EFFAR1
SCHEMBL2771716 0.93 PTGDR2 (0.52) PTGDR2PTPN1FFAR1PTGER2PPARD
SCHEMBL2771117 0.92 PTGDR2 (0.55) PTGDR2PTPN1FFAR1PTGER2
SCHEMBL2773241 0.91 PTGDR2 (0.54) PTGDR2PTPN1FFAR1PTGER2PPARD
SCHEMBL2770500 0.91 PTGDR2 (0.55) PTGDR2ALDH1A1PTPN1FFAR1PTGER2
SCHEMBL987762 0.91 PTGDR2 (0.55) PTGDR2ALDH1A1PTPN1FFAR1PTGER2
SCHEMBL2771112 0.90 PTGDR2 (0.58) PTGDR2PTPN1PTGER2LMNA
SCHEMBL2773078 0.90 PTGDR2 (0.43) PTGDR2MEP1BPTPN1PTGER2
SCHEMBL2773348 0.89 PTGDR2 (0.55) PTGDR2ALDH1A1PTPN1FFAR1

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 377/4885ALDH1A1 205/4885MEP1B 3927/4885

“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.