SCHEMBL2771471

SCHEMBL2771471

CN(Cc1ccc(OCC(=O)O)c(-c2cc(F)cc(Cl)c2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.48
PTGDR2 Q9Y5Y4 11/20 0.47
PTPN1 P18031 4/20 0.45
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL2773048 0.90 PTGDR2 (0.47) ACLYPTGDR2MAPTFFAR1
SCHEMBL13160866 0.89 PTGDR2 (0.47) PTGDR2PTPN1MAPTALDH1A1LMNA
SCHEMBL2773506 0.88 PTGDR2 (0.51) PTGDR2PTPN1MAPTALDH1A1LMNA
SCHEMBL2771520 0.87 PTGDR2 (0.55) PTGDR2PTPN1
SCHEMBL13161562 0.87 PTGDR2 (0.45) PTGDR2PTPN1MAPT
SCHEMBL2773773 0.87 PTGDR2 (0.57) PTGDR2PTPN1
SCHEMBL2770575 0.87 PTGDR2 (0.47) PTGDR2PTPN1MAPTTP53
SCHEMBL2772422 0.87 PTGDR2 (0.48) PTGDR2MAPTALDH1A1LMNA
SCHEMBL2771155 0.86 PTGDR2 (0.57) PTGDR2PTPN1MAPTALDH1A1LMNA
SCHEMBL2771016 0.86 PTGDR2 (0.52) PTGDR2PTPN1MAPTALDH1A1LMNA

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 ACLY 1166/4885PTGDR2 377/4885PTPN1 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.