SCHEMBL2771386

SCHEMBL2771386

CN(Cc1ccc(OCC(=O)O)c(-c2ccc(S(C)(=O)=O)cc2)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.66
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PTPN1 P18031 2/20 0.42
PTGS2 P35354 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER1 P34995 1/20 0.41
DRD1 P21728 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
SCHEMBL2771155 0.92 PTGDR2 (0.57) PTGDR2ALDH1A1LMNAMAPTPTPN1
SCHEMBL2773337 0.92 PTGDR2 (0.58) PTGDR2ALDH1A1LMNAMAPTKMT2A
SCHEMBL2771637 0.91 PTGDR2 (0.56) PTGDR2ALDH1A1LMNAMAPTPTPN1
SCHEMBL2772060 0.91 PTGDR2 (0.53) PTGDR2PTPN1
SCHEMBL988525 0.91 PTGDR2 (0.56) PTGDR2ALDH1A1LMNAMAPTPTPN1
SCHEMBL2773506 0.90 PTGDR2 (0.51) PTGDR2ALDH1A1LMNAMAPTPTPN1
SCHEMBL2772775 0.90 PTGDR2 (0.63) PTGDR2PTPN1
SCHEMBL2771505 0.89 PTGDR2 (0.51) PTGDR2ALDH1A1LMNAMAPTPTPN1
SCHEMBL2769545 0.89 PTGDR2 (0.54) PTGDR2ALDH1A1LMNAMAPTPTPN1
SCHEMBL2773383 0.89 PTGDR2 (0.52) PTGDR2ALDH1A1LMNAMAPTPTPN1

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 377/4885ALDH1A1 205/4885LMNA 3342/4885

“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.