SCHEMBL988451

SCHEMBL988451

COc1ccc(COc2ccc(CN(C)S(=O)(=O)c3ccc(F)cc3)cc2-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.46
NFE2L2 Q16236 5/20 0.46
MMP1 P03956 3/20 0.42
MMP9 P14780 3/20 0.42
MMP13 P45452 3/20 0.42
ADAM17 P78536 3/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
PTGER1 P34995 1/20 0.39
SLC2A1 P11166 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
BMP1 P13497 1/20 0.39

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
SCHEMBL2773541 0.86 PTGDR2 (0.58) MMP1MMP9MMP13ADAM17PTGDR2
SCHEMBL2769871 0.85 PTGDR2 (0.58) PTGDR2
SCHEMBL990007 0.81 PTGDR2 (0.46) PTGDR2HSD17B1HSD17B2RORCRORB
SCHEMBL987480 0.81 HSD17B1 (0.48) HSD17B1HSD17B2RORCRORB
SCHEMBL988422 0.80 PTGDR2 (0.50) MMP13PTGDR2HSD17B1HSD17B2RORC
SCHEMBL989265 0.80 PTGDR2 (0.50) MMP13PTGDR2HSD17B1HSD17B2RORC
SCHEMBL2772914 0.80 PTGDR2 (0.41) PTGDR2HSD17B1HSD17B2RORCRORB
SCHEMBL988487 0.80 PTGDR2 (0.41) MMP1MMP9MMP13ADAM17PTGDR2
SCHEMBL2772208 0.79 PTGDR2 (0.62) PTGDR2
SCHEMBL2772560 0.79 PTGDR2 (0.58) PTGDR2

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 KEAP1 535/4885NFE2L2 230/4885MMP1 408/4885

“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.