SCHEMBL988296

SCHEMBL988296

COc1ccc(C=O)cc1-c1ccc(F)c(S(C)(=O)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.46
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.45
AOX1 Q06278 1/20 0.42
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
FDPS P14324 1/20 0.40
BRD4 O60885 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL17969078 0.84 ALDH1A1 (0.53) PTGS2ALDH1A1TSHRAOX1HPGD
SCHEMBL990491 0.82 PTGS2 (0.40) PTGS2ALDH1A1AOX1HPGD
SCHEMBL989200 0.79 PTGDR2 (0.39) ALDH1A1MEN1POLBKMT2ABRD4
SCHEMBL7754930 0.79 PTGS2 (0.39) PTGS2ALDH1A1TSHRAOX1HPGD
SCHEMBL3924578 0.78 ALDH1A1 (0.56) ALDH1A1TSHRAOX1HPGDMEN1
SCHEMBL3920365 0.77 ALDH1A1 (0.70) ALDH1A1TSHRAOX1HPGDFDPS
SCHEMBL2775394 0.76 ALDH1A1 (0.45) ALDH1A1POLBKMT2A
SCHEMBL3920869 0.73 ALDH1A1 (0.58) ALDH1A1TSHRAOX1HPGDFDPS
SCHEMBL14610546 0.73 TUBB1 (0.52) PTGS2ALDH1A1TSHRAOX1HPGD
SCHEMBL5734850 0.72 ALDH1A1 (0.53) ALDH1A1TSHRAOX1HPGDPOLB

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 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-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO 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 PTGS2 403/4885ALDH1A1 205/4885TSHR 2297/4885

“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.