SCHEMBL2772322

SCHEMBL2772322

CN(Cc1ccc(OCC(=O)O)c(-c2cc(F)cc(C#N)c2)c1)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 6/20 0.49
PTGDR2 Q9Y5Y4 11/20 0.47
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CASP3 P42574 1/20 0.39
ACLY P53396 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL2772051 0.94 PTGDR2 (0.47) PTGER2PTGDR2ACLY
SCHEMBL2771016 0.94 PTGDR2 (0.52) PTGER2PTGDR2ALDH1A1LMNA
SCHEMBL2770503 0.93 PTGDR2 (0.52) PTGER2PTGDR2ACLY
SCHEMBL2770500 0.92 PTGDR2 (0.55) PTGER2PTGDR2MAOAMAOBCASP3
SCHEMBL2773216 0.91 PTGDR2 (0.46) PTGER2PTGDR2MAOAMAOBCASP3
SCHEMBL2771688 0.91 PTGER2 (0.44) PTGER2PTGDR2
SCHEMBL2773078 0.90 PTGDR2 (0.43) PTGER2PTGDR2
SCHEMBL2769543 0.89 PTGDR2 (0.43) PTGER2PTGDR2
SCHEMBL2771657 0.89 PTGDR2 (0.55) PTGER2PTGDR2ACLYALDH1A1LMNA
SCHEMBL2772984 0.89 PTGDR2 (0.44) PTGER2PTGDR2

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 PTGER2 642/4885PTGDR2 377/4885MAOA 165/4885

“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.