SCHEMBL2771665

SCHEMBL2771665

CN(Cc1ccc(OCC(=O)O)c(-c2cccc(C(F)(F)F)c2)c1)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.58
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48
PPARD Q03181 2/20 0.45
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
PTPN6 P29350 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL2770545 0.95 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2769871 0.93 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2772208 0.93 PTGDR2 (0.62) PTGDR2CA12CA1CA2CA4
SCHEMBL2773425 0.91 PTGDR2 (0.57) PTGDR2CA12CA1CA2CA4
SCHEMBL2772560 0.90 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2772186 0.90 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2771985 0.90 PTGDR2 (0.62) PTGDR2CA12CA1CA2CA4
SCHEMBL2773060 0.89 PTGDR2 (0.54) PTGDR2CA12CA1CA2CA4
SCHEMBL2771828 0.89 PTGDR2 (0.56) PTGDR2CA12CA1CA2CA4
SCHEMBL2771705 0.89 PTGDR2 (0.54) PTGDR2CA12CA1CA2CA4

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 377/4885CA12 1017/4885CA1 2536/4885

“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.