SCHEMBL2773078

SCHEMBL2773078

COc1ccc(S(=O)(=O)N(C)Cc2ccc(OCC(=O)O)c(-c3cc(F)cc(C#N)c3)c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.43
PTGER2 P43116 1/20 0.42
PTPN1 P18031 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
MEP1B Q16820 1/20 0.39
MAPT P10636 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37

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
SCHEMBL2771688 0.94 PTGER2 (0.44) PTGDR2PTGER2PTPN1MAPT
SCHEMBL2773216 0.92 PTGDR2 (0.46) PTGDR2PTGER2PTPN1MAPT
SCHEMBL2771754 0.92 PTGDR2 (0.48) PTGDR2PTPN1TAS2R14MEP1BMAPT
SCHEMBL2772051 0.91 PTGDR2 (0.47) PTGDR2PTGER2PTPN1
SCHEMBL2771016 0.91 PTGDR2 (0.52) PTGDR2PTGER2PTPN1MAPT
SCHEMBL2772984 0.90 PTGDR2 (0.44) PTGDR2PTGER2PTPN1MAPT
SCHEMBL2773852 0.90 PTGDR2 (0.52) PTGDR2PTGER2PTPN1MEP1B
SCHEMBL2772322 0.90 PTGER2 (0.49) PTGDR2PTGER2
SCHEMBL14882778 0.89 PTGER2 (0.41) PTGDR2PTGER2PTPN1MAPT
SCHEMBL2769543 0.89 PTGDR2 (0.43) PTGDR2PTGER2PTPN1

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 377/4885PTGER2 642/4885PTPN1 3204/4885

“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.