SCHEMBL2773406

SCHEMBL2773406

CN(Cc1cc(-c2cc(F)cc(C#N)c2)c(OCC(=O)O)cc1Cl)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.40
HSD11B1 P28845 1/20 0.38
NLRP3 Q96P20 1/20 0.37
PTGER2 P43116 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL2773728 0.92 PTGDR2 (0.41) PTGDR2NLRP3PTGER2KEAP1NFE2L2
SCHEMBL2772337 0.91 PTGDR2 (0.52) PTGDR2HSD11B1PTGER2
SCHEMBL2773170 0.90 PTGDR2 (0.42) PTGDR2NLRP3PTGER2
SCHEMBL2773759 0.89 PTGDR2 (0.43) PTGDR2NLRP3PTGER2
SCHEMBL989268 0.88 PTGDR2 (0.40) PTGDR2PTGER2
SCHEMBL13160915 0.87 PTGDR2 (0.41) PTGDR2KEAP1NFE2L2
SCHEMBL2773216 0.85 PTGDR2 (0.46) PTGDR2PTGER2
SCHEMBL2773722 0.85 PTGDR2 (0.47) PTGDR2NLRP3PTGER2
SCHEMBL2773618 0.84 PTGDR2 (0.56) PTGDR2HSD11B1KEAP1NFE2L2
SCHEMBL2769543 0.84 PTGDR2 (0.43) PTGDR2PTGER2

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 377/4885HSD11B1 87/4885NLRP3 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.