SCHEMBL2773728

SCHEMBL2773728

CN(Cc1cc(-c2cc(F)cc(C#N)c2)c(OCC(=O)O)cc1F)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.41
PTGER2 P43116 2/20 0.40
NLRP3 Q96P20 1/20 0.38
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL14882778 0.92 PTGER2 (0.41) PTGDR2PTGER2NLRP3
SCHEMBL2773759 0.92 PTGDR2 (0.43) PTGDR2PTGER2NLRP3
SCHEMBL2773406 0.92 PTGDR2 (0.40) PTGDR2PTGER2NLRP3KEAP1NFE2L2
SCHEMBL2773170 0.91 PTGDR2 (0.42) PTGDR2PTGER2NLRP3
SCHEMBL2770956 0.91 PTGDR2 (0.52) PTGDR2PTGER2DPP4DPP9DPP7
SCHEMBL2773722 0.89 PTGDR2 (0.47) PTGDR2PTGER2NLRP3
SCHEMBL2773216 0.87 PTGDR2 (0.46) PTGDR2PTGER2KMT2A
SCHEMBL13161563 0.87 PTGDR2 (0.40) PTGDR2PTGER2PSEN1PSEN2APH1B
SCHEMBL2772129 0.85 PTGDR2 (0.53) PTGDR2PTGER2
SCHEMBL2773682 0.83 PTGDR2 (0.51) PTGDR2PTGER2DPP4DPP9DPP7

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 PTGDR2 377/4885PTGER2 642/4885NLRP3 3685/4885

“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.